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

61
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.