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

6274
Patents

114.02925 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03653 115.8
[M+Na]+ 137.01847 124.2
[M-H]- 113.02197 111.5
[M+NH4]+ 132.06307 137.9
[M+K]+ 152.99241 124.0
[M+H-H2O]+ 97.026510 110.1
[M+HCOO]- 159.02745 133.6
[M+CH3COO]- 173.04310 166.2
[M+Na-2H]- 135.00392 121.7
[M]+ 114.02870 110.5
[M]- 114.02980 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.