CID 171080

P-dihydroxybenzenedisulfonate de bis (diethylamine) [french]

Structural Information

Molecular Formula
C6H6O8S2
SMILES
C1=CC(=C(C=C1O)S(=O)(=O)O)S(=O)(=O)OO
InChI
InChI=1S/C6H6O8S2/c7-4-1-2-5(16(12,13)14-8)6(3-4)15(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKey
CLOZYYSYBFQKCT-UHFFFAOYSA-N
Compound name
2-hydroperoxysulfonyl-5-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

269.9504 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.957676 150.6
[M+Na]+ 292.939618 158.8
[M-H]- 268.943124 150.2
[M+NH4]+ 287.984223 164.6
[M+K]+ 308.913558 154.8
[M+H-H2O]+ 252.947660 145.5
[M+HCOO]- 314.948601 159.7
[M+CH3COO]- 328.964251 181.0
[M+Na-2H]- 290.925066 155.6
[M]+ 269.94985142 154.6
[M]- 269.95094858 154.6
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.