CID 98606

1-(4-chlorophenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C1CC1(C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
YAHLWSGIQJATGG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

878
Patents

196.02911 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.036386 134.9
[M+Na]+ 219.018328 145.5
[M-H]- 195.021834 141.6
[M+NH4]+ 214.062933 151.6
[M+K]+ 234.992268 141.6
[M+H-H2O]+ 179.026370 130.7
[M+HCOO]- 241.027311 153.2
[M+CH3COO]- 255.042961 182.1
[M+Na-2H]- 217.003776 141.6
[M]+ 196.02856142 138.8
[M]- 196.02965858 138.8
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

patents stripe