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]+ 187.98345 149.7
[M+Na]+ 209.96539 162.5
[M-H]- 185.96889 154.9
[M+NH4]+ 205.00999 170.2
[M+K]+ 225.93933 159.6
[M+H-H2O]+ 169.97343 138.7
[M+HCOO]- 231.97437 161.1
[M+CH3COO]- 245.99002 188.9
[M+Na-2H]- 207.95084 150.7
[M]+ 186.97562 148.5
[M]- 186.97672 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.