CID 77389

3771-14-0

Structural Information

Molecular Formula
C10H8O4S
SMILES
C1=CC=C2C(=C1)C=C(C=C2O)S(=O)(=O)O
InChI
InChI=1S/C10H8O4S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6,11H,(H,12,13,14)
InChIKey
HKWPUUYEGGDLJF-UHFFFAOYSA-N
Compound name
4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

844
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