CID 2080625

Ethyl 4-(5-chlorothiophene-2-sulfonamido)butanoate

Structural Information

Molecular Formula
C10H14ClNO4S2
SMILES
CCOC(=O)CCCNS(=O)(=O)C1=CC=C(S1)Cl
InChI
InChI=1S/C10H14ClNO4S2/c1-2-16-9(13)4-3-7-12-18(14,15)10-6-5-8(11)17-10/h5-6,12H,2-4,7H2,1H3
InChIKey
LFYKARGWNYBPHF-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.00528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 170.3
[M+Na]+ 333.99450 177.7
[M+NH4]+ 329.03910 176.5
[M+K]+ 349.96844 171.1
[M-H]- 309.99800 169.5
[M+Na-2H]- 331.97995 171.7
[M]+ 311.00473 171.9
[M]- 311.00583 171.9
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.