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

132
Patents

223.99657 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00385 147.6
[M+Na]+ 246.98579 157.9
[M-H]- 222.98929 155.1
[M+NH4]+ 242.03039 168.4
[M+K]+ 262.95973 153.3
[M+H-H2O]+ 206.99383 142.4
[M+HCOO]- 268.99477 163.0
[M+CH3COO]- 283.01042 181.5
[M+Na-2H]- 244.97124 150.4
[M]+ 223.99602 150.5
[M]- 223.99712 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