CID 207937

Brn 1716866

Structural Information

Molecular Formula

C₈H₃F₁₅O₂

SMILES

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

InChI

InChI=1S/C8H3F15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24-25H

InChIKey

AORZBMCWTIRHFH-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1
Patents: 415.98935 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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]+	416.99663	174.5
[M+Na]+	438.97857	155.1
[M-H]-	414.98207	155.7
[M+NH4]+	434.02317	155.9
[M+K]+	454.95251	179.9
[M+H-H2O]+	398.98661	160.9
[M+HCOO]-	460.98755	167.2
[M+CH3COO]-	475.00320	219.6
[M+Na-2H]-	436.96402	176.9
[M]+	415.98880	147.7
[M]-	415.98990	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe