CID 9570358

Benzoyl chloride, p-nitro-, phenylhydrazone

Structural Information

Molecular Formula
C13H10ClN3O2
SMILES
C1=CC=C(C=C1)N/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\Cl
InChI
InChI=1S/C13H10ClN3O2/c14-13(16-15-11-4-2-1-3-5-11)10-6-8-12(9-7-10)17(18)19/h1-9,15H/b16-13-
InChIKey
SBJHMUCWWOHVTD-SSZFMOIBSA-N
Compound name
(1Z)-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

275.04614 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.053416 159.3
[M+Na]+ 298.035358 164.7
[M-H]- 274.038864 166.6
[M+NH4]+ 293.079963 174.7
[M+K]+ 314.009298 156.5
[M+H-H2O]+ 258.043400 156.3
[M+HCOO]- 320.044341 183.0
[M+CH3COO]- 334.059991 196.8
[M+Na-2H]- 296.020806 167.2
[M]+ 275.04559142 158.5
[M]- 275.04668858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe