CID 59569079

1378852-94-8

Structural Information

Molecular Formula
C8H12F2O2
SMILES
C1CC(CCC1C(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h5-7H,1-4H2,(H,11,12)
InChIKey
YYQCHCJHDZCDSW-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

178.08054 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.087816 136.0
[M+Na]+ 201.069758 141.1
[M-H]- 177.073264 134.9
[M+NH4]+ 196.114363 155.0
[M+K]+ 217.043698 139.7
[M+H-H2O]+ 161.077800 129.2
[M+HCOO]- 223.078741 151.5
[M+CH3COO]- 237.094391 178.3
[M+Na-2H]- 199.055206 136.9
[M]+ 178.07999142 128.3
[M]- 178.08108858 128.3
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

patents stripe