CID 19710684

5-chloropent-3-enenitrile

Structural Information

Molecular Formula

SMILES

C(/C=C/CCl)C#N

InChI

InChI=1S/C5H6ClN/c6-4-2-1-3-5-7/h1-2H,3-4H2/b2-1+

InChIKey

MZTSMFMGZMDYGL-OWOJBTEDSA-N

Compound name

(E)-5-chloropent-3-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 115.018875 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	116.02615	119.3
[M+Na]+	138.00809	131.1
[M+NH4]+	133.05270	124.9
[M+K]+	153.98203	121.3
[M-H]-	114.01160	112.6
[M+Na-2H]-	135.99354	122.5
[M]+	115.01833	118.4
[M]-	115.01942	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe