CID 13592

4-chlorocyclohexene

Structural Information

Molecular Formula
C6H9Cl
SMILES
C1CC(CC=C1)Cl
InChI
InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKey
NCDVDTXDSDVLPL-UHFFFAOYSA-N
Compound name
4-chlorocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

116.039276 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04655 119.9
[M+Na]+ 139.02849 127.3
[M-H]- 115.03200 123.1
[M+NH4]+ 134.07310 143.3
[M+K]+ 155.00243 124.7
[M+H-H2O]+ 99.036536 115.9
[M+HCOO]- 161.03748 138.0
[M+CH3COO]- 175.05313 167.1
[M+Na-2H]- 137.01394 127.4
[M]+ 116.03873 117.7
[M]- 116.03982 117.7
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

No patent data available for this compound.