CID 93028

Mordant yellow 8

Structural Information

Molecular Formula
C17H14N4O6S
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C17H14N4O6S/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27/h2-9,15H,1H3,(H,23,24)(H,25,26,27)
InChIKey
ISIJLUXQMTWMLC-UHFFFAOYSA-N
Compound name
2-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

402.06342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07070 189.4
[M+Na]+ 425.05264 199.2
[M+NH4]+ 420.09724 192.6
[M+K]+ 441.02658 196.3
[M-H]- 401.05614 191.4
[M+Na-2H]- 423.03809 195.2
[M]+ 402.06287 191.3
[M]- 402.06397 191.3
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

No patent data available for this compound.