CID 3106534

4-chlorobenzoic n2-(4-nitrophenyl)hydrazide

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃O₃

SMILES

C1=CC(=CC=C1C(=O)NNC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O3/c14-10-3-1-9(2-4-10)13(18)16-15-11-5-7-12(8-6-11)17(19)20/h1-8,15H,(H,16,18)

InChIKey

VTUSZVXQUXFZGC-UHFFFAOYSA-N

Compound name

4-chloro-N'-(4-nitrophenyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 291.04108 Da
Monoisotopic Mass: 3.5
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]+	292.048356	161.5
[M+Na]+	314.030298	167.2
[M-H]-	290.033804	167.9
[M+NH4]+	309.074903	175.8
[M+K]+	330.004238	158.8
[M+H-H2O]+	274.038340	158.9
[M+HCOO]-	336.039281	184.0
[M+CH3COO]-	350.054931	197.3
[M+Na-2H]-	312.015746	168.6
[M]+	291.04053142	160.7
[M]-	291.04162858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe