CID 80673

6357-85-3

Structural Information

Molecular Formula
C10H8O4S
SMILES
C1=CC=C2C(=C1)C=C(C=C2S(=O)(=O)O)O
InChI
InChI=1S/C10H8O4S/c11-8-5-7-3-1-2-4-9(7)10(6-8)15(12,13)14/h1-6,11H,(H,12,13,14)
InChIKey
RZMZJYAMZGWBLB-UHFFFAOYSA-N
Compound name
3-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

224.01433 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02161 142.5
[M+Na]+ 247.00355 152.5
[M-H]- 223.00705 145.3
[M+NH4]+ 242.04815 161.2
[M+K]+ 262.97749 148.4
[M+H-H2O]+ 207.01159 137.8
[M+HCOO]- 269.01253 158.1
[M+CH3COO]- 283.02818 180.0
[M+Na-2H]- 244.98900 149.4
[M]+ 224.01378 144.9
[M]- 224.01488 144.9
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