CID 69095

5-methyl-4-(4-nitrophenylazo)resorcinol

Structural Information

Molecular Formula
C13H11N3O4
SMILES
CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O
InChI
InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3
InChIKey
XDOOUKIUNUWEFT-UHFFFAOYSA-N
Compound name
5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

273.07495 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08223 156.4
[M+Na]+ 296.06417 163.7
[M-H]- 272.06767 164.1
[M+NH4]+ 291.10877 171.3
[M+K]+ 312.03811 157.0
[M+H-H2O]+ 256.07221 152.8
[M+HCOO]- 318.07315 184.6
[M+CH3COO]- 332.08880 197.4
[M+Na-2H]- 294.04962 164.3
[M]+ 273.07440 156.0
[M]- 273.07550 156.0
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

patents stripe