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

15
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

literature stripe

Patent stripe

patents stripe