CID 80539

2-naphthalenesulfonic acid, 5-(or 8)-amino-8(or 5)-(phenylazo)-

Structural Information

Molecular Formula
C16H13N3O3S
SMILES
C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O
InChI
InChI=1S/C16H13N3O3S/c17-15-8-9-16(19-18-11-4-2-1-3-5-11)14-10-12(23(20,21)22)6-7-13(14)15/h1-10H,17H2,(H,20,21,22)
InChIKey
GYHKIXZQDCKUPI-UHFFFAOYSA-N
Compound name
5-amino-8-phenyldiazenylnaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.06775 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.075026 170.6
[M+Na]+ 350.056968 179.2
[M-H]- 326.060474 179.4
[M+NH4]+ 345.101573 185.4
[M+K]+ 366.030908 174.2
[M+H-H2O]+ 310.065010 162.3
[M+HCOO]- 372.065951 192.2
[M+CH3COO]- 386.081601 213.7
[M+Na-2H]- 348.042416 178.5
[M]+ 327.06720142 172.8
[M]- 327.06829858 172.8
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