CID 9570561

36590-52-0

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂N₂

SMILES

C1=CC=C(C=C1)N/N=C(/C2=CC=C(C=C2)Cl)\Cl

InChI

InChI=1S/C13H10Cl2N2/c14-11-8-6-10(7-9-11)13(15)17-16-12-4-2-1-3-5-12/h1-9,16H/b17-13-

InChIKey

ILBQKBQMVGVLIN-LGMDPLHJSA-N

Compound name

(1Z)-4-chloro-N-phenylbenzenecarbohydrazonoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 264.0221 Da
Monoisotopic Mass: 5.2
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]+	265.02938	156.9
[M+Na]+	287.01132	164.9
[M-H]-	263.01482	163.8
[M+NH4]+	282.05592	174.5
[M+K]+	302.98526	158.5
[M+H-H2O]+	247.01936	150.4
[M+HCOO]-	309.02030	174.5
[M+CH3COO]-	323.03595	200.0
[M+Na-2H]-	284.99677	163.2
[M]+	264.02155	158.7
[M]-	264.02265	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe