CID 250380

4-nitrodiazoaminobenzene

Structural Information

Molecular Formula
C12H10N4O2
SMILES
C1=CC=C(C=C1)NN=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O2/c17-16(18)12-8-6-11(7-9-12)14-15-13-10-4-2-1-3-5-10/h1-9H,(H,13,14)
InChIKey
VPLPKIVQGJVXDR-UHFFFAOYSA-N
Compound name
N-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

15
Patents

242.08037 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 147.9
[M+Na]+ 265.06959 153.1
[M-H]- 241.07309 157.2
[M+NH4]+ 260.11419 164.3
[M+K]+ 281.04353 147.1
[M+H-H2O]+ 225.07763 143.4
[M+HCOO]- 287.07857 180.0
[M+CH3COO]- 301.09422 196.9
[M+Na-2H]- 263.05504 159.4
[M]+ 242.07982 146.2
[M]- 242.08092 146.2
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.