CID 12219571

1,1-dichloro-2-nitroethene

Structural Information

Molecular Formula

C₂HCl₂NO₂

SMILES

C(=C(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C2HCl2NO2/c3-2(4)1-5(6)7/h1H

InChIKey

CTFMCQGUXONREY-UHFFFAOYSA-N

Compound name

1,1-dichloro-2-nitroethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 140.93843 Da
Monoisotopic Mass: 1.8
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]+	141.94571	121.4
[M+Na]+	163.92765	130.1
[M-H]-	139.93115	121.2
[M+NH4]+	158.97225	143.1
[M+K]+	179.90159	123.6
[M+H-H2O]+	123.93569	124.4
[M+HCOO]-	185.93663	137.3
[M+CH3COO]-	199.95228	164.4
[M+Na-2H]-	161.91310	128.3
[M]+	140.93788	121.4
[M]-	140.93898	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe