CID 10320

Benquinox

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)N=O
InChI
InChI=1S/C13H11N3O2/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(16-18)9-7-11/h1-9,14H,(H,15,17)
InChIKey
ORLIFVYIUIQGOA-UHFFFAOYSA-N
Compound name
N'-(4-nitrosophenyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

4811
Patents

241.08513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 150.5
[M+Na]+ 264.07435 156.5
[M-H]- 240.07785 158.7
[M+NH4]+ 259.11895 167.2
[M+K]+ 280.04829 154.1
[M+H-H2O]+ 224.08239 141.9
[M+HCOO]- 286.08333 179.6
[M+CH3COO]- 300.09898 200.3
[M+Na-2H]- 262.05980 158.9
[M]+ 241.08458 150.1
[M]- 241.08568 150.1
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