CID 12603304

56447-20-2

Structural Information

Molecular Formula

C₇H₁₁ClO₂

SMILES

C1CC(CCC1C(=O)O)Cl

InChI

InChI=1S/C7H11ClO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)

InChIKey

HCNHIDFPSXEDAV-UHFFFAOYSA-N

Compound name

4-chlorocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 162.04475 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.05203	131.5
[M+Na]+	185.03397	137.9
[M-H]-	161.03747	133.2
[M+NH4]+	180.07857	152.3
[M+K]+	201.00791	135.1
[M+H-H2O]+	145.04201	127.7
[M+HCOO]-	207.04295	146.0
[M+CH3COO]-	221.05860	172.7
[M+Na-2H]-	183.01942	135.0
[M]+	162.04420	128.3
[M]-	162.04530	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe