CID 69036

Einecs 209-979-0

Structural Information

Molecular Formula
C14H14O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)CCS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
ULELOBVZIKJPAC-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)ethylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

46
Patents

310.03336 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04064 169.6
[M+Na]+ 333.02258 177.7
[M-H]- 309.02608 175.9
[M+NH4]+ 328.06718 184.3
[M+K]+ 348.99652 172.0
[M+H-H2O]+ 293.03062 162.6
[M+HCOO]- 355.03156 182.0
[M+CH3COO]- 369.04721 196.2
[M+Na-2H]- 331.00803 174.5
[M]+ 310.03281 173.3
[M]- 310.03391 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe