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 194.1
[M+Na]+ 439.02382 202.8
[M-H]- 415.02732 207.0
[M+NH4]+ 434.06842 205.5
[M+K]+ 454.99776 197.4
[M+H-H2O]+ 399.03186 184.5
[M+HCOO]- 461.03280 215.4
[M+CH3COO]- 475.04845 231.6
[M+Na-2H]- 437.00927 201.0
[M]+ 416.03405 200.9
[M]- 416.03515 200.9
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.