CID 284324

2-(phenylsulfonyl)thiophene

Structural Information

Molecular Formula
C10H8O2S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=CS2
InChI
InChI=1S/C10H8O2S2/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
InChIKey
SRWXKQSZSIGHCO-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

138
Patents

223.99657 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.003846 147.6
[M+Na]+ 246.985788 157.9
[M-H]- 222.989294 155.1
[M+NH4]+ 242.030393 168.4
[M+K]+ 262.959728 153.3
[M+H-H2O]+ 206.993830 142.4
[M+HCOO]- 268.994771 163.0
[M+CH3COO]- 283.010421 181.5
[M+Na-2H]- 244.971236 150.4
[M]+ 223.99602142 150.5
[M]- 223.99711858 150.5
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