CID 67062

6-anilino-4-hydroxynaphthalene-2-sulphonic acid

Structural Information

Molecular Formula
C16H13NO4S
SMILES
C1=CC=C(C=C1)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O
InChI
InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)8-11-6-7-13(9-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)
InChIKey
QEAYLNJEDDOYNQ-UHFFFAOYSA-N
Compound name
6-anilino-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

208
Patents

315.05652 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.063796 167.2
[M+Na]+ 338.045738 175.7
[M-H]- 314.049244 172.6
[M+NH4]+ 333.090343 181.4
[M+K]+ 354.019678 169.9
[M+H-H2O]+ 298.053780 160.3
[M+HCOO]- 360.054721 183.1
[M+CH3COO]- 374.070371 200.6
[M+Na-2H]- 336.031186 173.8
[M]+ 315.05597142 168.7
[M]- 315.05706858 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe