CID 69770

Benzenamine, 4-[(3-nitrophenyl)azo]-

Structural Information

Molecular Formula
C12H10N4O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H10N4O2/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)16(17)18/h1-8H,13H2
InChIKey
MDMDJAOEKAAIGH-UHFFFAOYSA-N
Compound name
4-[(3-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

242.08037 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 148.8
[M+Na]+ 265.06959 155.0
[M-H]- 241.07309 157.9
[M+NH4]+ 260.11419 165.2
[M+K]+ 281.04353 148.6
[M+H-H2O]+ 225.07763 144.5
[M+HCOO]- 287.07857 180.3
[M+CH3COO]- 301.09422 197.3
[M+Na-2H]- 263.05504 158.5
[M]+ 242.07982 146.5
[M]- 242.08092 146.5
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

patents stripe