CID 80825

Mordant orange 10

Structural Information

Molecular Formula
C20H16N4O6S
SMILES
CC1=CC(=CC(=C1O)C(=O)O)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C20H16N4O6S/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30/h2-11,25H,1H3,(H,26,27)(H,28,29,30)
InChIKey
MZTTYRHRQVDPIL-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methyl-5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

440.07904 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08632 199.6
[M+Na]+ 463.06826 205.9
[M-H]- 439.07176 211.0
[M+NH4]+ 458.11286 207.9
[M+K]+ 479.04220 202.6
[M+H-H2O]+ 423.07630 188.8
[M+HCOO]- 485.07724 222.4
[M+CH3COO]- 499.09289 238.2
[M+Na-2H]- 461.05371 204.8
[M]+ 440.07849 204.4
[M]- 440.07959 204.4
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