CID 259274

3-nitroazobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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

literature stripe

Patent stripe

patents stripe