CID 853486

338421-10-6

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CSCC(=O)O
InChI
InChI=1S/C10H10ClNO3S/c11-7-2-1-3-8(4-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKey
GUJXESWTQMRFPW-UHFFFAOYSA-N
Compound name
2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.007 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 154.1
[M+Na]+ 281.99622 164.4
[M+NH4]+ 277.04082 161.2
[M+K]+ 297.97016 157.2
[M-H]- 257.99972 154.9
[M+Na-2H]- 279.98167 158.4
[M]+ 259.00645 156.2
[M]- 259.00755 156.2
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.