CID 255020

4-amino-3-nitroazobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

28
Patents

242.08037 Da
Monoisotopic Mass

3.0
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