CID 340722

338421-17-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.007 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01428 152.4
[M+Na]+ 281.99622 159.4
[M-H]- 257.99972 154.8
[M+NH4]+ 277.04082 169.4
[M+K]+ 297.97016 154.7
[M+H-H2O]+ 242.00426 147.3
[M+HCOO]- 304.00520 165.3
[M+CH3COO]- 318.02085 190.8
[M+Na-2H]- 279.98167 153.6
[M]+ 259.00645 156.0
[M]- 259.00755 156.0
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.