CID 65811625

1-[(2-chlorophenyl)methyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1CC1(CC2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C11H11ClO2/c12-9-4-2-1-3-8(9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14)
InChIKey
QPACAUSGIAGIAZ-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 144.2
[M+Na]+ 233.03397 159.0
[M+NH4]+ 228.07857 155.0
[M+K]+ 249.00791 151.9
[M-H]- 209.03747 154.0
[M+Na-2H]- 231.01942 155.5
[M]+ 210.04420 150.7
[M]- 210.04530 150.7
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