CID 65745690

5-(chloromethyl)-n,n-dimethylthiophene-2-sulfonamide

Structural Information

Molecular Formula
C7H10ClNO2S2
SMILES
CN(C)S(=O)(=O)C1=CC=C(S1)CCl
InChI
InChI=1S/C7H10ClNO2S2/c1-9(2)13(10,11)7-4-3-6(5-8)12-7/h3-4H,5H2,1-2H3
InChIKey
NBFSOVFTKXJVNK-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N,N-dimethylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.98415 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.99143 149.5
[M+Na]+ 261.97337 159.3
[M-H]- 237.97687 155.3
[M+NH4]+ 257.01797 171.0
[M+K]+ 277.94731 155.4
[M+H-H2O]+ 221.98141 145.2
[M+HCOO]- 283.98235 160.4
[M+CH3COO]- 297.99800 189.8
[M+Na-2H]- 259.95882 150.2
[M]+ 238.98360 155.9
[M]- 238.98470 155.9
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.