CID 407458

6289-81-2

Structural Information

Molecular Formula
C10H12O4S
SMILES
C1CC(CC2=CC=CC=C21)(O)S(=O)(=O)O
InChI
InChI=1S/C10H12O4S/c11-10(15(12,13)14)6-5-8-3-1-2-4-9(8)7-10/h1-4,11H,5-7H2,(H,12,13,14)
InChIKey
QBRKFGGAOFUKQV-UHFFFAOYSA-N
Compound name
2-hydroxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04562 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.052896 145.8
[M+Na]+ 251.034838 153.7
[M-H]- 227.038344 147.6
[M+NH4]+ 246.079443 165.9
[M+K]+ 267.008778 150.3
[M+H-H2O]+ 211.042880 141.7
[M+HCOO]- 273.043821 158.5
[M+CH3COO]- 287.059471 179.0
[M+Na-2H]- 249.020286 153.0
[M]+ 228.04507142 145.5
[M]- 228.04616858 145.5
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

No patent data available for this compound.