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 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

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No patent data available for this compound.