CID 84768656

1,2,2-trifluorocyclohexanecarboxylic acid

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1CCC(C(C1)(C(=O)O)F)(F)F
InChI
InChI=1S/C7H9F3O2/c8-6(5(11)12)3-1-2-4-7(6,9)10/h1-4H2,(H,11,12)
InChIKey
JYFQSOQHJWRRMS-UHFFFAOYSA-N
Compound name
1,2,2-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 132.9
[M+Na]+ 205.04469 140.6
[M-H]- 181.04819 131.3
[M+NH4]+ 200.08929 155.8
[M+K]+ 221.01863 139.1
[M+H-H2O]+ 165.05273 127.1
[M+HCOO]- 227.05367 148.6
[M+CH3COO]- 241.06932 176.5
[M+Na-2H]- 203.03014 137.3
[M]+ 182.05492 124.9
[M]- 182.05602 124.9
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.