CID 70198

2-chloroacrylonitrile

Structural Information

Molecular Formula

SMILES

C=C(C#N)Cl

InChI

InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2

InChIKey

OYUNTGBISCIYPW-UHFFFAOYSA-N

Compound name

2-chloroprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 22298
Patents: 86.98758 Da
Monoisotopic Mass: 1.4
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]+	87.994856	112.0
[M+Na]+	109.97680	123.2
[M-H]-	85.980304	113.4
[M+NH4]+	105.02140	134.3
[M+K]+	125.95074	121.0
[M+H-H2O]+	69.984840	102.8
[M+HCOO]-	131.98578	128.6
[M+CH3COO]-	146.00143	177.4
[M+Na-2H]-	107.96225	119.0
[M]+	86.987031	107.7
[M]-	86.988129	107.7

Literature stripe

literature stripe

Patent stripe

patents stripe