CID 22143

2,7-naphthalenedisulfonic acid, 3-hydroxy-4-(2-phenyldiazenyl)-, sodium salt (1:2)

Structural Information

Molecular Formula
C16H12N2O7S2
SMILES
C1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C16H12N2O7S2/c19-16-14(27(23,24)25)9-10-8-12(26(20,21)22)6-7-13(10)15(16)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)
InChIKey
UWCKWDYDKZIRGN-UHFFFAOYSA-N
Compound name
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

408.0086 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01588 187.2
[M+Na]+ 430.99782 194.9
[M-H]- 407.00132 192.8
[M+NH4]+ 426.04242 197.3
[M+K]+ 446.97176 189.6
[M+H-H2O]+ 391.00586 179.6
[M+HCOO]- 453.00680 199.2
[M+CH3COO]- 467.02245 218.4
[M+Na-2H]- 428.98327 195.9
[M]+ 408.00805 192.1
[M]- 408.00915 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

patents stripe