CID 11665471

1,1,2,3,3,3-hexafluoropropan-1-ol

Structural Information

Molecular Formula
C3H2F6O
SMILES
C(C(O)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C3H2F6O/c4-1(2(5,6)7)3(8,9)10/h1,10H
InChIKey
GWYGYHQOXMEUPT-UHFFFAOYSA-N
Compound name
1,1,2,3,3,3-hexafluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

948
Patents

168.00098 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008256 123.1
[M+Na]+ 190.990198 132.0
[M-H]- 166.993704 115.0
[M+NH4]+ 186.034803 142.6
[M+K]+ 206.964138 130.9
[M+H-H2O]+ 150.998240 115.0
[M+HCOO]- 212.999181 136.0
[M+CH3COO]- 227.014831 175.6
[M+Na-2H]- 188.975646 127.8
[M]+ 168.00043142 113.1
[M]- 168.00152858 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe