CID 9774

374-01-6

Structural Information

Molecular Formula
C3H5F3O
SMILES
CC(C(F)(F)F)O
InChI
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKey
GILIYJDBJZWGBG-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6300
Patents

114.02925 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.036526 115.8
[M+Na]+ 137.018468 124.2
[M-H]- 113.021974 111.5
[M+NH4]+ 132.063073 137.9
[M+K]+ 152.992408 124.0
[M+H-H2O]+ 97.026510 110.1
[M+HCOO]- 159.027451 133.6
[M+CH3COO]- 173.043101 166.2
[M+Na-2H]- 135.003916 121.7
[M]+ 114.02870142 110.5
[M]- 114.02979858 110.5
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