CID 165361064

73003-99-3

Structural Information

Molecular Formula
C17H12N2O9S2
SMILES
C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=NC3=CC=CC(=C3O)C(=O)O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C17H12N2O9S2/c20-16-11(17(21)22)4-1-5-13(16)19-18-9-7-12-10(15(8-9)30(26,27)28)3-2-6-14(12)29(23,24)25/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28)
InChIKey
IPPQSWMCVIZCPF-UHFFFAOYSA-N
Compound name
3-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.9984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.00568 194.4
[M+Na]+ 474.98762 200.4
[M-H]- 450.99112 198.4
[M+NH4]+ 470.03222 201.5
[M+K]+ 490.96156 196.3
[M+H-H2O]+ 434.99566 186.8
[M+HCOO]- 496.99660 203.8
[M+CH3COO]- 511.01225 225.9
[M+Na-2H]- 472.97307 202.3
[M]+ 451.99785 199.6
[M]- 451.99895 199.6
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.