CID 106349

1-naphthalenesulfonic acid, 5-hydroxy-4-(phenylamino)-

Structural Information

Molecular Formula
C16H13NO4S
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3O
InChI
InChI=1S/C16H13NO4S/c18-14-8-4-7-12-15(22(19,20)21)10-9-13(16(12)14)17-11-5-2-1-3-6-11/h1-10,17-18H,(H,19,20,21)
InChIKey
JJOWOYSYGITZPN-UHFFFAOYSA-N
Compound name
4-anilino-5-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

315.05652 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06380 167.7
[M+Na]+ 338.04574 181.2
[M+NH4]+ 333.09034 175.3
[M+K]+ 354.01968 173.1
[M-H]- 314.04924 171.4
[M+Na-2H]- 336.03119 175.7
[M]+ 315.05597 171.2
[M]- 315.05707 171.2
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