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
2
Annotation Hits

0
References

98
Patents

257.08005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 155.2
[M+Na]+ 280.06927 169.5
[M+NH4]+ 275.11387 163.2
[M+K]+ 296.04321 164.9
[M-H]- 256.07277 162.1
[M+Na-2H]- 278.05472 164.5
[M]+ 257.07950 159.0
[M]- 257.08060 159.0
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