CID 135755692

2-naphthalenesulfonic acid, 6-amino-5-((4-chloro-2-sulfophenyl)azo)-4-hydroxy-, sodium salt

Structural Information

Molecular Formula
C16H12ClN3O7S2
SMILES
C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)Cl)S(=O)(=O)O)N
InChI
InChI=1S/C16H12ClN3O7S2/c17-9-2-4-12(14(6-9)29(25,26)27)19-20-16-11(18)3-1-8-5-10(28(22,23)24)7-13(21)15(8)16/h1-7,21H,18H2,(H,22,23,24)(H,25,26,27)
InChIKey
VHBBLWNQISSFNW-UHFFFAOYSA-N
Compound name
6-amino-5-[(4-chloro-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.98053 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.98781 198.3
[M+Na]+ 479.96975 208.1
[M+NH4]+ 475.01435 202.4
[M+K]+ 495.94369 201.4
[M-H]- 455.97325 200.0
[M+Na-2H]- 477.95520 203.3
[M]+ 456.97998 201.1
[M]- 456.98108 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.