CID 17222

2491-52-3

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H
InChIKey
TZTDJBMGPQLSLI-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

442
Patents

227.06947 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07675 146.0
[M+Na]+ 250.05869 152.2
[M-H]- 226.06219 155.5
[M+NH4]+ 245.10329 163.4
[M+K]+ 266.03263 146.2
[M+H-H2O]+ 210.06673 142.0
[M+HCOO]- 272.06767 177.2
[M+CH3COO]- 286.08332 192.1
[M+Na-2H]- 248.04414 156.9
[M]+ 227.06892 145.1
[M]- 227.07002 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.