CID 70013615

2-[1-(4-chlorophenyl)cyclopropyl]acetic acid

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1CC1(CC(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClO2/c12-9-3-1-8(2-4-9)11(5-6-11)7-10(13)14/h1-4H,5-7H2,(H,13,14)
InChIKey
JUOJLGOJCZJURD-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.04475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 139.2
[M+Na]+ 233.033968 149.3
[M-H]- 209.037474 145.7
[M+NH4]+ 228.078573 155.3
[M+K]+ 249.007908 145.3
[M+H-H2O]+ 193.042010 134.8
[M+HCOO]- 255.042951 157.1
[M+CH3COO]- 269.058601 185.0
[M+Na-2H]- 231.019416 145.3
[M]+ 210.04420142 143.4
[M]- 210.04529858 143.4
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