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
1
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]+ 270.95768 150.6
[M+Na]+ 292.93962 158.8
[M-H]- 268.94312 150.2
[M+NH4]+ 287.98422 164.6
[M+K]+ 308.91356 154.8
[M+H-H2O]+ 252.94766 145.5
[M+HCOO]- 314.94860 159.7
[M+CH3COO]- 328.96425 181.0
[M+Na-2H]- 290.92507 155.6
[M]+ 269.94985 154.6
[M]- 269.95095 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.