CID 3075325

174752-85-3

Structural Information

Molecular Formula

C₁₀H₁₃ClN₄O

SMILES

CN(C)N=NC1=CC=CC(=C1)NC(=O)CCl

InChI

InChI=1S/C10H13ClN4O/c1-15(2)14-13-9-5-3-4-8(6-9)12-10(16)7-11/h3-6H,7H2,1-2H3,(H,12,16)

InChIKey

ZKJZJYISLSSXLK-UHFFFAOYSA-N

Compound name

2-chloro-N-[3-(dimethylaminodiazenyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.07779 Da
Monoisotopic Mass: 2.2
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]+	241.085066	154.0
[M+Na]+	263.067008	160.6
[M-H]-	239.070514	161.6
[M+NH4]+	258.111613	173.2
[M+K]+	279.040948	159.3
[M+H-H2O]+	223.075050	146.7
[M+HCOO]-	285.075991	180.8
[M+CH3COO]-	299.091641	207.5
[M+Na-2H]-	261.052456	160.3
[M]+	240.07724142	158.0
[M]-	240.07833858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.