CID 229816

7152-44-5

Structural Information

Molecular Formula
C11H14O3S2
SMILES
CCSC(=O)C1=CC=C(C=C1)S(=O)(=O)CC
InChI
InChI=1S/C11H14O3S2/c1-3-15-11(12)9-5-7-10(8-6-9)16(13,14)4-2/h5-8H,3-4H2,1-2H3
InChIKey
SAXKFUJMKXSQDT-UHFFFAOYSA-N
Compound name
S-ethyl 4-ethylsulfonylbenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.03842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04570 154.8
[M+Na]+ 281.02764 162.7
[M-H]- 257.03114 158.3
[M+NH4]+ 276.07224 172.3
[M+K]+ 297.00158 158.3
[M+H-H2O]+ 241.03568 148.9
[M+HCOO]- 303.03662 166.3
[M+CH3COO]- 317.05227 191.0
[M+Na-2H]- 279.01309 155.7
[M]+ 258.03787 159.6
[M]- 258.03897 159.6
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.