CID 3162833

749897-58-3

Structural Information

Molecular Formula
C7H8ClNO4S2
SMILES
CN(CC(=O)O)S(=O)(=O)C1=CC=C(S1)Cl
InChI
InChI=1S/C7H8ClNO4S2/c1-9(4-6(10)11)15(12,13)7-3-2-5(8)14-7/h2-3H,4H2,1H3,(H,10,11)
InChIKey
LFKLPTLDRUNKOQ-UHFFFAOYSA-N
Compound name
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96558 157.6
[M+Na]+ 291.94752 165.2
[M+NH4]+ 286.99212 164.2
[M+K]+ 307.92146 160.2
[M-H]- 267.95102 156.7
[M+Na-2H]- 289.93297 159.4
[M]+ 268.95775 159.3
[M]- 268.95885 159.3
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.