CID 13529

1,1,1,3,3,3-hexafluoro-2-propanol

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

555
References

82759
Patents

168.00098 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008256 123.2
[M+Na]+ 190.990198 132.2
[M-H]- 166.993704 115.2
[M+NH4]+ 186.034803 142.8
[M+K]+ 206.964138 131.1
[M+H-H2O]+ 150.998240 115.1
[M+HCOO]- 212.999181 136.2
[M+CH3COO]- 227.014831 175.0
[M+Na-2H]- 188.975646 128.0
[M]+ 168.00043142 113.2
[M]- 168.00152858 113.2
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