CID 66817076

4-(difluoromethylidene)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1CC(=C(F)F)CCC1C(=O)O
InChI
InChI=1S/C8H10F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h6H,1-4H2,(H,11,12)
InChIKey
ALIYNSXSGZVAGX-UHFFFAOYSA-N
Compound name
4-(difluoromethylidene)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

176.06488 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07216 134.7
[M+Na]+ 199.05410 140.1
[M-H]- 175.05760 133.7
[M+NH4]+ 194.09870 153.8
[M+K]+ 215.02804 138.1
[M+H-H2O]+ 159.06214 128.0
[M+HCOO]- 221.06308 150.4
[M+CH3COO]- 235.07873 176.7
[M+Na-2H]- 197.03955 135.6
[M]+ 176.06433 126.2
[M]- 176.06543 126.2
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