CID 7745482

2-(2-phenylphenoxy)ethanethioamide

Structural Information

Molecular Formula
C14H13NOS
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OCC(=S)N
InChI
InChI=1S/C14H13NOS/c15-14(17)10-16-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,17)
InChIKey
KUPRHYXSMNBRSE-UHFFFAOYSA-N
Compound name
2-(2-phenylphenoxy)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.0718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.079076 153.2
[M+Na]+ 266.061018 160.2
[M-H]- 242.064524 159.5
[M+NH4]+ 261.105623 170.4
[M+K]+ 282.034958 155.2
[M+H-H2O]+ 226.069060 145.9
[M+HCOO]- 288.070001 172.2
[M+CH3COO]- 302.085651 193.1
[M+Na-2H]- 264.046466 155.9
[M]+ 243.07125142 153.3
[M]- 243.07234858 153.3
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.