CID 242267

2-[(4-chlorophenyl)thio]acetamide

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

68
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 138.3
[M+Na]+ 223.99073 146.9
[M-H]- 199.99423 141.9
[M+NH4]+ 219.03533 158.4
[M+K]+ 239.96467 142.2
[M+H-H2O]+ 183.99877 133.6
[M+HCOO]- 245.99971 153.0
[M+CH3COO]- 260.01536 183.2
[M+Na-2H]- 221.97618 140.7
[M]+ 201.00096 140.6
[M]- 201.00206 140.6
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