CID 19843732

Ydhqjwaaylpknw-uhfffaoysa-m

Structural Information

Molecular Formula
C10H10O4S
SMILES
C1C=CC2=CC=CC=C2C1(O)S(=O)(=O)O
InChI
InChI=1S/C10H10O4S/c11-10(15(12,13)14)7-3-5-8-4-1-2-6-9(8)10/h1-6,11H,7H2,(H,12,13,14)
InChIKey
HGVJHAMFCVPSRK-UHFFFAOYSA-N
Compound name
1-hydroxy-2H-naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

226.02998 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.037256 144.7
[M+Na]+ 249.019198 153.7
[M-H]- 225.022704 146.9
[M+NH4]+ 244.063803 165.0
[M+K]+ 264.993138 150.0
[M+H-H2O]+ 209.027240 140.6
[M+HCOO]- 271.028181 158.9
[M+CH3COO]- 285.043831 178.6
[M+Na-2H]- 247.004646 152.8
[M]+ 226.02943142 145.8
[M]- 226.03052858 145.8
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