CID 366454

Nsc634863

Structural Information

Molecular Formula
C10H12O6S2
SMILES
C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=CC=CC=C2
InChI
InChI=1S/C10H12O6S2/c11-17(12)10(8-9-4-2-1-3-5-9)18(13,14)16-7-6-15-17/h1-5,10H,6-8H2
InChIKey
HXWUVBHUWIDOSM-UHFFFAOYSA-N
Compound name
3-benzyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.00754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01482 157.5
[M+Na]+ 314.99676 163.0
[M-H]- 291.00026 165.4
[M+NH4]+ 310.04136 172.5
[M+K]+ 330.97070 166.7
[M+H-H2O]+ 275.00480 152.4
[M+HCOO]- 337.00574 167.7
[M+CH3COO]- 351.02139 192.4
[M+Na-2H]- 312.98221 162.6
[M]+ 292.00699 158.1
[M]- 292.00809 158.1
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.