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

946
Patents

168.00098 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00826 123.1
[M+Na]+ 190.99020 132.0
[M-H]- 166.99370 115.0
[M+NH4]+ 186.03480 142.6
[M+K]+ 206.96414 130.9
[M+H-H2O]+ 150.99824 115.0
[M+HCOO]- 212.99918 136.0
[M+CH3COO]- 227.01483 175.6
[M+Na-2H]- 188.97565 127.8
[M]+ 168.00043 113.1
[M]- 168.00153 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

No literature data available for this compound.

Patent stripe

patents stripe