CID 24688786

5-[2-(2,2-dimethylpropanamido)ethyl]thiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C11H16ClNO3S2
SMILES
CC(C)(C)C(=O)NCCC1=CC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C11H16ClNO3S2/c1-11(2,3)10(14)13-7-6-8-4-5-9(17-8)18(12,15)16/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKey
CJBVZTQMDCRUJG-UHFFFAOYSA-N
Compound name
5-[2-(2,2-dimethylpropanoylamino)ethyl]thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.026 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.03328 170.6
[M+Na]+ 332.01522 178.5
[M-H]- 308.01872 174.5
[M+NH4]+ 327.05982 188.5
[M+K]+ 347.98916 173.2
[M+H-H2O]+ 292.02326 166.3
[M+HCOO]- 354.02420 177.7
[M+CH3COO]- 368.03985 199.2
[M+Na-2H]- 330.00067 170.7
[M]+ 309.02545 176.5
[M]- 309.02655 176.5
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.