CID 9570358

Brn 0960850

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

0
Patents

275.04614 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05342 158.2
[M+Na]+ 298.03536 172.7
[M+NH4]+ 293.07996 166.9
[M+K]+ 314.00930 167.1
[M-H]- 274.03886 165.3
[M+Na-2H]- 296.02081 168.2
[M]+ 275.04559 162.4
[M]- 275.04669 162.4
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.