CID 242267

30893-65-3

Structural Information

Molecular Formula
C8H8ClNOS
SMILES
C1=CC(=CC=C1SCC(=O)N)Cl
InChI
InChI=1S/C8H8ClNOS/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
YHZANKPQPBORBP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

201.00151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00879 139.4
[M+Na]+ 223.99073 151.7
[M+NH4]+ 219.03533 148.7
[M+K]+ 239.96467 143.1
[M-H]- 199.99423 142.2
[M+Na-2H]- 221.97618 145.7
[M]+ 201.00096 142.6
[M]- 201.00206 142.6
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

patents stripe