CID 61644684

2-cyclopropyl-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C6H9F3O
SMILES
CC(C1CC1)(C(F)(F)F)O
InChI
InChI=1S/C6H9F3O/c1-5(10,4-2-3-4)6(7,8)9/h4,10H,2-3H2,1H3
InChIKey
AXXLTIFFBZPYDA-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.06055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06783 122.5
[M+Na]+ 177.04977 132.0
[M-H]- 153.05327 122.4
[M+NH4]+ 172.09437 138.2
[M+K]+ 193.02371 129.7
[M+H-H2O]+ 137.05781 115.6
[M+HCOO]- 199.05875 139.4
[M+CH3COO]- 213.07440 177.0
[M+Na-2H]- 175.03522 129.7
[M]+ 154.06000 120.0
[M]- 154.06110 120.0
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