CID 83916912

1553715-90-4

Structural Information

Molecular Formula
C8H11F3O3
SMILES
C1CC(CC(C1)(C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C8H11F3O3/c9-8(10,11)7(14)3-1-2-5(4-7)6(12)13/h5,14H,1-4H2,(H,12,13)
InChIKey
QNRPSENATFLRMF-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06602 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07330 141.6
[M+Na]+ 235.05524 147.9
[M-H]- 211.05874 138.2
[M+NH4]+ 230.09984 160.6
[M+K]+ 251.02918 146.0
[M+H-H2O]+ 195.06328 135.5
[M+HCOO]- 257.06422 154.1
[M+CH3COO]- 271.07987 179.0
[M+Na-2H]- 233.04069 144.8
[M]+ 212.06547 132.6
[M]- 212.06657 132.6
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.