PubChemLite - 88752-37-8 (C16H11F19O3)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C16H11F19O3/c1-5(2)7(37)38-4-6(36)3-8(17,18)10(20,21)12(24,25)14(28,29)13(26,27)11(22,23)9(19,15(30,31)32)16(33,34)35/h6,36H,1,3-4H2,2H3

InChIKey

WNVNMSONKCMAPU-UHFFFAOYSA-N

Compound name

[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl] 2-methylprop-2-enoate

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]+	613.04775	192.7
[M+Na]+	635.02969	197.5
[M-H]-	611.03319	203.9
[M+NH4]+	630.07429	205.7
[M+K]+	651.00363	209.1
[M+H-H2O]+	595.03773	181.5
[M+HCOO]-	657.03867	205.4
[M+CH3COO]-	671.05432	251.8
[M+Na-2H]-	633.01514	191.0
[M]+	612.03992	190.3
[M]-	612.04102	190.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.04775

192.7

[M+Na]+

635.02969

197.5

[M-H]-

611.03319

203.9

[M+NH4]+

630.07429

205.7

[M+K]+

651.00363

209.1

[M+H-H2O]+

595.03773

181.5

[M+HCOO]-

657.03867

205.4

[M+CH3COO]-

671.05432

251.8

[M+Na-2H]-

633.01514

191.0

[M]+

612.03992

190.3

[M]-

612.04102

190.3

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

88752-37-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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