CID 136033779

Einecs 280-483-4

Structural Information

Molecular Formula
C18H14N4O8S2
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C18H14N4O8S2/c23-17-10-18(24)16(22-20-12-3-7-14(8-4-12)32(28,29)30)9-15(17)21-19-11-1-5-13(6-2-11)31(25,26)27/h1-10,23-24H,(H,25,26,27)(H,28,29,30)
InChIKey
XOGMFYTYDBUIQF-UHFFFAOYSA-N
Compound name
4-[[2,4-dihydroxy-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

478.0253 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.032576 204.3
[M+Na]+ 501.014518 210.0
[M-H]- 477.018024 213.1
[M+NH4]+ 496.059123 210.0
[M+K]+ 516.988458 205.2
[M+H-H2O]+ 461.022560 194.0
[M+HCOO]- 523.023501 220.4
[M+CH3COO]- 537.039151 237.8
[M+Na-2H]- 498.999966 213.1
[M]+ 478.02475142 208.9
[M]- 478.02584858 208.9
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

patents stripe