CID 220260

2-methyl-5-(phenylsulfonyl)thiophene

Structural Information

Molecular Formula
C11H10O2S2
SMILES
CC1=CC=C(S1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H10O2S2/c1-9-7-8-11(14-9)15(12,13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
BVPMGLBJHKUDDJ-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

238.01222 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01950 151.2
[M+Na]+ 261.00144 161.8
[M-H]- 237.00494 158.8
[M+NH4]+ 256.04604 171.7
[M+K]+ 276.97538 156.9
[M+H-H2O]+ 221.00948 146.0
[M+HCOO]- 283.01042 166.2
[M+CH3COO]- 297.02607 185.5
[M+Na-2H]- 258.98689 153.0
[M]+ 238.01167 154.8
[M]- 238.01277 154.8
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