CID 134690809

1,4,4-trifluorocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1CC(CCC1(C(=O)O)F)(F)F
InChI
InChI=1S/C7H9F3O2/c8-6(5(11)12)1-3-7(9,10)4-2-6/h1-4H2,(H,11,12)
InChIKey
XBVSHLUDRLTMRJ-UHFFFAOYSA-N
Compound name
1,4,4-trifluorocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05547 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06275 141.6
[M+Na]+ 205.04469 148.7
[M+NH4]+ 200.08929 149.6
[M+K]+ 221.01863 141.1
[M-H]- 181.04819 137.9
[M+Na-2H]- 203.03014 146.0
[M]+ 182.05492 141.4
[M]- 182.05602 141.4
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.