CID 136125594

Chromate(5-), bis(8-((5-chloro-2-hydroxyphenyl)azo)-7-hydroxy-1,3-naphthalenedisulfonato(4-))-, pentahydrogen

Structural Information

Molecular Formula
C16H11ClN2O8S2
SMILES
C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=CC(=C3)Cl)O)O
InChI
InChI=1S/C16H11ClN2O8S2/c17-9-2-4-12(20)11(6-9)18-19-16-13(21)3-1-8-5-10(28(22,23)24)7-14(15(8)16)29(25,26)27/h1-7,20-21H,(H,22,23,24)(H,25,26,27)
InChIKey
KGBJGRBRLJWVCI-UHFFFAOYSA-N
Compound name
8-[(5-chloro-2-hydroxyphenyl)diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

457.96454 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.97182 193.5
[M+Na]+ 480.95376 202.0
[M-H]- 456.95726 198.6
[M+NH4]+ 475.99836 202.2
[M+K]+ 496.92770 196.3
[M+H-H2O]+ 440.96180 187.8
[M+HCOO]- 502.96274 199.8
[M+CH3COO]- 516.97839 225.1
[M+Na-2H]- 478.93921 201.3
[M]+ 457.96399 201.1
[M]- 457.96509 201.1
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.