CID 2743552

2-(2-chlorophenoxy)ethanethioamide

Structural Information

Molecular Formula
C8H8ClNOS
SMILES
C1=CC=C(C(=C1)OCC(=S)N)Cl
InChI
InChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)11-5-8(10)12/h1-4H,5H2,(H2,10,12)
InChIKey
YVAJKXSZBMTZMX-UHFFFAOYSA-N
Compound name
2-(2-chlorophenoxy)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.00151 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.008786 138.3
[M+Na]+ 223.990728 146.9
[M-H]- 199.994234 141.9
[M+NH4]+ 219.035333 158.4
[M+K]+ 239.964668 142.2
[M+H-H2O]+ 183.998770 133.6
[M+HCOO]- 245.999711 153.0
[M+CH3COO]- 260.015361 183.2
[M+Na-2H]- 221.976176 140.7
[M]+ 201.00096142 140.6
[M]- 201.00205858 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