CID 6436531

Cis-3-hexenyl chloride

Structural Information

Molecular Formula
C6H11Cl
SMILES
CC/C=C\CCCl
InChI
InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3/b4-3-
InChIKey
ODDBBUZTMLEZBW-ARJAWSKDSA-N
Compound name
(Z)-1-chlorohex-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

118.05493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06221 122.9
[M+Na]+ 141.04415 131.3
[M-H]- 117.04765 123.1
[M+NH4]+ 136.08875 146.6
[M+K]+ 157.01809 128.5
[M+H-H2O]+ 101.05219 119.8
[M+HCOO]- 163.05313 142.4
[M+CH3COO]- 177.06878 169.8
[M+Na-2H]- 139.02960 129.8
[M]+ 118.05438 125.1
[M]- 118.05548 125.1
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