CID 83703037

1-(3-chloro-4-methylphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11ClO2
SMILES
CC1=C(C=C(C=C1)C2(CC2)C(=O)O)Cl
InChI
InChI=1S/C11H11ClO2/c1-7-2-3-8(6-9(7)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
AZRJTOURSKZMGL-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 138.2
[M+Na]+ 233.033968 149.2
[M-H]- 209.037474 145.1
[M+NH4]+ 228.078573 154.6
[M+K]+ 249.007908 145.1
[M+H-H2O]+ 193.042010 134.2
[M+HCOO]- 255.042951 156.1
[M+CH3COO]- 269.058601 186.1
[M+Na-2H]- 231.019416 143.8
[M]+ 210.04420142 142.8
[M]- 210.04529858 142.8
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.