CID 372719

Nsc648302

Structural Information

Molecular Formula
C10H10O7S2
SMILES
C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10O7S2/c11-9(8-4-2-1-3-5-8)10-18(12,13)16-6-7-17-19(10,14)15/h1-5,10H,6-7H2
InChIKey
YHZXTNMSOFRFSU-UHFFFAOYSA-N
Compound name
phenyl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9868 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99408 159.3
[M+Na]+ 328.97602 164.4
[M-H]- 304.97952 167.1
[M+NH4]+ 324.02062 173.4
[M+K]+ 344.94996 168.8
[M+H-H2O]+ 288.98406 154.3
[M+HCOO]- 350.98500 168.9
[M+CH3COO]- 365.00065 194.7
[M+Na-2H]- 326.96147 164.0
[M]+ 305.98625 160.1
[M]- 305.98735 160.1
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.