CID 10952

Chlorocyclohexane

Structural Information

Molecular Formula
C6H11Cl
SMILES
C1CCC(CC1)Cl
InChI
InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
UNFUYWDGSFDHCW-UHFFFAOYSA-N
Compound name
chlorocyclohexane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

14228
Patents

118.05493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06221 122.3
[M+Na]+ 141.04415 128.6
[M-H]- 117.04765 125.1
[M+NH4]+ 136.08875 145.4
[M+K]+ 157.01809 126.2
[M+H-H2O]+ 101.05219 118.2
[M+HCOO]- 163.05313 138.9
[M+CH3COO]- 177.06878 167.5
[M+Na-2H]- 139.02960 128.7
[M]+ 118.05438 118.6
[M]- 118.05548 118.6
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