CID 12603304

4-chlorocyclohexane-1-carboxylic acid

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

227
Patents

162.04475 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.052026 131.5
[M+Na]+ 185.033968 137.9
[M-H]- 161.037474 133.2
[M+NH4]+ 180.078573 152.3
[M+K]+ 201.007908 135.1
[M+H-H2O]+ 145.042010 127.7
[M+HCOO]- 207.042951 146.0
[M+CH3COO]- 221.058601 172.7
[M+Na-2H]- 183.019416 135.0
[M]+ 162.04420142 128.3
[M]- 162.04529858 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe