CID 121553521

5-methanesulfonylthiophene-2-carbonitrile

Structural Information

Molecular Formula
C6H5NO2S2
SMILES
CS(=O)(=O)C1=CC=C(S1)C#N
InChI
InChI=1S/C6H5NO2S2/c1-11(8,9)6-3-2-5(4-7)10-6/h2-3H,1H3
InChIKey
AKVGEYXEAOPJEO-UHFFFAOYSA-N
Compound name
5-methylsulfonylthiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.97617 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.983446 149.7
[M+Na]+ 209.965388 162.5
[M-H]- 185.968894 154.9
[M+NH4]+ 205.009993 170.2
[M+K]+ 225.939328 159.6
[M+H-H2O]+ 169.973430 138.7
[M+HCOO]- 231.974371 161.1
[M+CH3COO]- 245.990021 188.9
[M+Na-2H]- 207.950836 150.7
[M]+ 186.97562142 148.5
[M]- 186.97671858 148.5
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.