CID 65811626

1-[(4-chlorophenyl)methyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1CC1(CC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H11ClO2/c12-9-3-1-8(2-4-9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14)
InChIKey
AEOJZEUDQMBIJS-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05203 139.2
[M+Na]+ 233.03397 149.3
[M-H]- 209.03747 145.7
[M+NH4]+ 228.07857 155.3
[M+K]+ 249.00791 145.3
[M+H-H2O]+ 193.04201 134.8
[M+HCOO]- 255.04295 157.1
[M+CH3COO]- 269.05860 185.0
[M+Na-2H]- 231.01942 145.3
[M]+ 210.04420 143.4
[M]- 210.04530 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