CID 74029

1435-71-8

Structural Information

Molecular Formula
C13H11N3O3
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3
InChIKey
DRPPFIRCBMBJCM-UHFFFAOYSA-N
Compound name
4-methyl-2-[(2-nitrophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

112
Patents

257.08005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 153.8
[M+Na]+ 280.069268 160.7
[M-H]- 256.072774 162.4
[M+NH4]+ 275.113873 169.8
[M+K]+ 296.043208 154.2
[M+H-H2O]+ 240.077310 150.0
[M+HCOO]- 302.078251 183.3
[M+CH3COO]- 316.093901 196.6
[M+Na-2H]- 278.054716 162.5
[M]+ 257.07950142 153.4
[M]- 257.08059858 153.4
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