CID 3017800

Sodium 2-hydroxyindan-5-sulphonate

Structural Information

Molecular Formula
C9H10O4S
SMILES
C1C(CC2=C1C=CC(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C9H10O4S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8,10H,3-4H2,(H,11,12,13)
InChIKey
RGIZUBRYLZXVNX-UHFFFAOYSA-N
Compound name
2-hydroxy-2,3-dihydro-1H-indene-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

214.02998 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.037256 142.6
[M+Na]+ 237.019198 152.1
[M-H]- 213.022704 145.2
[M+NH4]+ 232.063803 163.6
[M+K]+ 252.993138 148.6
[M+H-H2O]+ 197.027240 139.0
[M+HCOO]- 259.028181 157.9
[M+CH3COO]- 273.043831 177.1
[M+Na-2H]- 235.004646 146.6
[M]+ 214.02943142 144.2
[M]- 214.03052858 144.2
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