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 148.8
[M+Na]+ 235.05524 154.2
[M+NH4]+ 230.09984 154.2
[M+K]+ 251.02918 149.8
[M-H]- 211.05874 143.3
[M+Na-2H]- 233.04069 150.5
[M]+ 212.06547 147.5
[M]- 212.06657 147.5
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.