CID 136086370

72765-60-7

Structural Information

Molecular Formula
C16H12N2O7S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C16H12N2O7S2/c19-14-7-5-10-3-1-2-4-12(10)16(14)18-17-13-9-11(26(20,21)22)6-8-15(13)27(23,24)25/h1-9,19H,(H,20,21,22)(H,23,24,25)
InChIKey
JRPWWCKQCKBWEU-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzene-1,4-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0086 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.015876 187.2
[M+Na]+ 430.997818 194.9
[M-H]- 407.001324 192.8
[M+NH4]+ 426.042423 197.3
[M+K]+ 446.971758 189.6
[M+H-H2O]+ 391.005860 179.6
[M+HCOO]- 453.006801 199.2
[M+CH3COO]- 467.022451 218.4
[M+Na-2H]- 428.983266 195.9
[M]+ 408.00805142 192.1
[M]- 408.00914858 192.1
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.