CID 111957

68959-30-8

Structural Information

Molecular Formula
C19H15ClN4O4S
SMILES
COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)O)Cl
InChI
InChI=1S/C19H15ClN4O4S/c1-28-16-8-6-15(7-9-16)22-21-13-2-4-14(5-3-13)23-24-19-12-17(29(25,26)27)10-11-18(19)20/h2-12H,1H3,(H,25,26,27)
InChIKey
PSDOPUFDROVOBT-UHFFFAOYSA-N
Compound name
4-chloro-3-[[4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.05026 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.05754 199.3
[M+Na]+ 453.03948 207.9
[M-H]- 429.04298 213.4
[M+NH4]+ 448.08408 210.8
[M+K]+ 469.01342 203.1
[M+H-H2O]+ 413.04752 189.0
[M+HCOO]- 475.04846 221.6
[M+CH3COO]- 489.06411 236.7
[M+Na-2H]- 451.02493 205.9
[M]+ 430.04971 208.1
[M]- 430.05081 208.1
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.