CID 13842131

3-chlorocyclohept-1-ene

Structural Information

Molecular Formula
C7H11Cl
SMILES
C1CCC(C=CC1)Cl
InChI
InChI=1S/C7H11Cl/c8-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2
InChIKey
QHHAXVILSBDMTD-UHFFFAOYSA-N
Compound name
3-chlorocycloheptene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

130.05493 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06221 119.7
[M+Na]+ 153.04415 125.3
[M-H]- 129.04765 123.5
[M+NH4]+ 148.08875 141.0
[M+K]+ 169.01809 126.7
[M+H-H2O]+ 113.05219 115.8
[M+HCOO]- 175.05313 136.9
[M+CH3COO]- 189.06878 172.7
[M+Na-2H]- 151.02960 126.5
[M]+ 130.05438 114.7
[M]- 130.05548 114.7
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.