CID 9570720

3-nitrobenzoyl chloride phenyl hydrazone

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]+ 276.05342 159.3
[M+Na]+ 298.03536 164.7
[M-H]- 274.03886 166.6
[M+NH4]+ 293.07996 174.7
[M+K]+ 314.00930 156.5
[M+H-H2O]+ 258.04340 156.3
[M+HCOO]- 320.04434 183.0
[M+CH3COO]- 334.05999 196.8
[M+Na-2H]- 296.02081 167.2
[M]+ 275.04559 158.5
[M]- 275.04669 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.