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

6
Patents

154.06055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 122.5
[M+Na]+ 177.049768 132.0
[M-H]- 153.053274 122.4
[M+NH4]+ 172.094373 138.2
[M+K]+ 193.023708 129.7
[M+H-H2O]+ 137.057810 115.6
[M+HCOO]- 199.058751 139.4
[M+CH3COO]- 213.074401 177.0
[M+Na-2H]- 175.035216 129.7
[M]+ 154.06000142 120.0
[M]- 154.06109858 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