CID 165596736

2385575-33-5

Structural Information

Molecular Formula
C8H12F2O2
SMILES
C1CC(CCC1C(=O)O)(CF)F
InChI
InChI=1S/C8H12F2O2/c9-5-8(10)3-1-6(2-4-8)7(11)12/h6H,1-5H2,(H,11,12)
InChIKey
YDDKIDMQLJQTLF-UHFFFAOYSA-N
Compound name
4-fluoro-4-(fluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08054 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 135.6
[M+Na]+ 201.06976 141.8
[M-H]- 177.07326 134.8
[M+NH4]+ 196.11436 156.7
[M+K]+ 217.04370 140.2
[M+H-H2O]+ 161.07780 129.6
[M+HCOO]- 223.07874 152.1
[M+CH3COO]- 237.09439 176.9
[M+Na-2H]- 199.05521 138.9
[M]+ 178.07999 128.8
[M]- 178.08109 128.8
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.