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]+ 243.087646 147.9
[M+Na]+ 265.069588 153.1
[M-H]- 241.073094 157.2
[M+NH4]+ 260.114193 164.3
[M+K]+ 281.043528 147.1
[M+H-H2O]+ 225.077630 143.4
[M+HCOO]- 287.078571 180.0
[M+CH3COO]- 301.094221 196.9
[M+Na-2H]- 263.055036 159.4
[M]+ 242.07982142 146.2
[M]- 242.08091858 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

literature stripe

Patent stripe

patents stripe