CID 54595257

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

Structural Information

Molecular Formula
C13H15ClO2
SMILES
C1CCC(C1)(CC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C13H15ClO2/c14-11-5-3-10(4-6-11)9-13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16)
InChIKey
PPILKNABXPXPKU-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.07605 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08333 152.3
[M+Na]+ 261.06527 164.1
[M+NH4]+ 256.10987 162.5
[M+K]+ 277.03921 157.0
[M-H]- 237.06877 155.2
[M+Na-2H]- 259.05072 160.0
[M]+ 238.07550 155.1
[M]- 238.07660 155.1
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