CID 216009

N-dichlorovinyllactam

Structural Information

Molecular Formula

C₆H₇Cl₂NO

SMILES

C1CC(=O)N(C1)C=C(Cl)Cl

InChI

InChI=1S/C6H7Cl2NO/c7-5(8)4-9-3-1-2-6(9)10/h4H,1-3H2

InChIKey

SARNSRKALHSLHM-UHFFFAOYSA-N

Compound name

1-(2,2-dichloroethenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.99046 Da
Monoisotopic Mass: 1.5
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]+	179.99774	135.5
[M+Na]+	201.97968	144.3
[M-H]-	177.98318	136.7
[M+NH4]+	197.02428	157.0
[M+K]+	217.95362	139.9
[M+H-H2O]+	161.98772	131.0
[M+HCOO]-	223.98866	147.2
[M+CH3COO]-	238.00431	176.1
[M+Na-2H]-	199.96513	137.5
[M]+	178.98991	134.8
[M]-	178.99101	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe