CID 2759273

Perfluoropropanol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3HF7O/c4-1(5,2(6,7)8)3(9,10)11/h11H

InChIKey

WBXAHKZHOCTGLP-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,3-heptafluoropropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3587
Patents: 185.99156 Da
Monoisotopic Mass: 2.1
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]+	186.99884	126.0
[M+Na]+	208.98078	135.5
[M-H]-	184.98428	116.9
[M+NH4]+	204.02538	144.7
[M+K]+	224.95472	134.0
[M+H-H2O]+	168.98882	117.4
[M+HCOO]-	230.98976	137.2
[M+CH3COO]-	245.00541	178.5
[M+Na-2H]-	206.96623	132.2
[M]+	185.99101	114.6
[M]-	185.99211	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe