CID 12776043

Sodium 2,5-dichlorophenyl-n-nitrosoamide

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O

SMILES

C1=CC(=C(C=C1Cl)NN=O)Cl

InChI

InChI=1S/C6H4Cl2N2O/c7-4-1-2-5(8)6(3-4)9-10-11/h1-3H,(H,9,11)

InChIKey

WAKVBBFVJLUCDU-UHFFFAOYSA-N

Compound name

N-(2,5-dichlorophenyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 189.97006 Da
Monoisotopic Mass: 2.9
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]+	190.977336	133.4
[M+Na]+	212.959278	144.0
[M-H]-	188.962784	138.4
[M+NH4]+	208.003883	154.7
[M+K]+	228.933218	140.0
[M+H-H2O]+	172.967320	129.3
[M+HCOO]-	234.968261	153.1
[M+CH3COO]-	248.983911	186.5
[M+Na-2H]-	210.944726	141.3
[M]+	189.96951142	137.1
[M]-	189.97060858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe