CID 130819654

[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C6H9F3O
SMILES
C1CC1(CC(F)(F)F)CO
InChI
InChI=1S/C6H9F3O/c7-6(8,9)3-5(4-10)1-2-5/h10H,1-4H2
InChIKey
WRSUZSYEVJHDNU-UHFFFAOYSA-N
Compound name
[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06055 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06783 123.8
[M+Na]+ 177.04977 133.6
[M-H]- 153.05327 123.8
[M+NH4]+ 172.09437 141.3
[M+K]+ 193.02371 131.8
[M+H-H2O]+ 137.05781 117.5
[M+HCOO]- 199.05875 141.9
[M+CH3COO]- 213.07440 176.1
[M+Na-2H]- 175.03522 131.3
[M]+ 154.06000 122.2
[M]- 154.06110 122.2
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.