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]+ 269.965576 154.7
[M+Na]+ 291.947518 163.3
[M-H]- 267.951024 159.0
[M+NH4]+ 286.992123 173.8
[M+K]+ 307.921458 159.4
[M+H-H2O]+ 251.955560 150.6
[M+HCOO]- 313.956501 163.7
[M+CH3COO]- 327.972151 191.3
[M+Na-2H]- 289.932966 154.9
[M]+ 268.95775142 160.8
[M]- 268.95884858 160.8
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.