PubChemLite - 141977-66-4 (C15H3F29O5)

Structural Information

Molecular Formula

SMILES

C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)O

InChI

InChI=1S/C15H3F29O5/c16-2(1-45,7(22,23)24)46-13(39,40)4(19,9(28,29)30)48-15(43,44)6(21,11(34,35)36)49-14(41,42)5(20,10(31,32)33)47-12(37,38)3(17,18)8(25,26)27/h45H,1H2

InChIKey

XWMIXYNBVNTPFV-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propan-1-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	814.95898	204.5
[M+Na]+	836.94092	205.5
[M-H]-	812.94442	217.5
[M+NH4]+	831.98552	217.1
[M+K]+	852.91486	220.5
[M+H-H2O]+	796.94896	190.8
[M+HCOO]-	858.94990	220.5
[M+CH3COO]-	872.96555	267.7
[M+Na-2H]-	834.92637	206.0
[M]+	813.95115	202.9
[M]-	813.95225	202.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

814.95898

204.5

[M+Na]+

836.94092

205.5

[M-H]-

812.94442

217.5

[M+NH4]+

831.98552

217.1

[M+K]+

852.91486

220.5

[M+H-H2O]+

796.94896

190.8

[M+HCOO]-

858.94990

220.5

[M+CH3COO]-

872.96555

267.7

[M+Na-2H]-

834.92637

206.0

[M]+

813.95115

202.9

[M]-

813.95225

202.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

141977-66-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe