CID 12466000

Schembl4301387

Structural Information

Molecular Formula
C6H11Cl
SMILES
C/C=C/CCCCl
InChI
InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2-3H,4-6H2,1H3/b3-2+
InChIKey
SJHDJTNQXRYLLN-NSCUHMNNSA-N
Compound name
(E)-6-chlorohex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

118.05493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06221 122.0
[M+Na]+ 141.04415 134.5
[M+NH4]+ 136.08875 131.5
[M+K]+ 157.01809 126.7
[M-H]- 117.04765 122.6
[M+Na-2H]- 139.02960 127.4
[M]+ 118.05438 124.2
[M]- 118.05548 124.2
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