CID 9570720

63614-84-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.