CID 707933

2-methylsulfonylthiophene

Structural Information

Molecular Formula
C5H6O2S2
SMILES
CS(=O)(=O)C1=CC=CS1
InChI
InChI=1S/C5H6O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3
InChIKey
BNYLGFINMVZZGA-UHFFFAOYSA-N
Compound name
2-methylsulfonylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

539
Patents

161.98093 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.98821 131.1
[M+Na]+ 184.97015 141.6
[M-H]- 160.97365 135.6
[M+NH4]+ 180.01475 154.4
[M+K]+ 200.94409 138.8
[M+H-H2O]+ 144.97819 126.8
[M+HCOO]- 206.97913 146.0
[M+CH3COO]- 220.99478 171.1
[M+Na-2H]- 182.95560 133.5
[M]+ 161.98038 134.4
[M]- 161.98148 134.4
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