CID 12257120

2-amino-3,3-dichloroprop-2-enenitrile

Structural Information

Molecular Formula

C₃H₂Cl₂N₂

SMILES

C(#N)C(=C(Cl)Cl)N

InChI

InChI=1S/C3H2Cl2N2/c4-3(5)2(7)1-6/h7H2

InChIKey

ZNXSUWSNVODENE-UHFFFAOYSA-N

Compound name

2-amino-3,3-dichloroprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 135.9595 Da
Monoisotopic Mass: 1.2
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]+	136.96678	126.1
[M+Na]+	158.94872	136.7
[M-H]-	134.95222	126.4
[M+NH4]+	153.99332	146.3
[M+K]+	174.92266	132.9
[M+H-H2O]+	118.95676	117.4
[M+HCOO]-	180.95770	137.5
[M+CH3COO]-	194.97335	185.5
[M+Na-2H]-	156.93417	130.0
[M]+	135.95895	120.4
[M]-	135.96005	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe