CID 253218

Nsc75834

Structural Information

Molecular Formula
C6H4Cl2O4S
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)S(=O)OO
InChI
InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(11)12-10)2-5(8)6(4)9/h1-2,9-10H
InChIKey
ZQZBKKDZKWZCGX-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-hydroxybenzenesulfinoperoxoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.92073 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92801 136.5
[M+Na]+ 264.90995 147.4
[M-H]- 240.91345 138.5
[M+NH4]+ 259.95455 155.0
[M+K]+ 280.88389 142.5
[M+H-H2O]+ 224.91799 134.3
[M+HCOO]- 286.91893 144.4
[M+CH3COO]- 300.93458 181.4
[M+Na-2H]- 262.89540 138.5
[M]+ 241.92018 142.2
[M]- 241.92128 142.2
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

No patent data available for this compound.