CID 111955

68959-29-5

Structural Information

Molecular Formula
C18H13ClN4O4S
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)Cl
InChI
InChI=1S/C18H13ClN4O4S/c19-17-10-9-16(28(25,26)27)11-18(17)23-22-13-3-1-12(2-4-13)20-21-14-5-7-15(24)8-6-14/h1-11,24H,(H,25,26,27)
InChIKey
ZCDFFPWXFJWITE-UHFFFAOYSA-N
Compound name
4-chloro-3-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0346 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.04188 193.7
[M+Na]+ 439.02382 207.0
[M+NH4]+ 434.06842 200.2
[M+K]+ 454.99776 197.7
[M-H]- 415.02732 201.1
[M+Na-2H]- 437.00927 204.6
[M]+ 416.03405 198.3
[M]- 416.03515 198.3
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.