CID 13593

1-chlorocyclohexene

Structural Information

Molecular Formula
C6H9Cl
SMILES
C1CCC(=CC1)Cl
InChI
InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
BUAKPITZELZWNI-UHFFFAOYSA-N
Compound name
1-chlorocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

573
Patents

116.039276 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe