CID 668263

Thiobenzanilide

Structural Information

Molecular Formula
C13H11NS
SMILES
C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey
BOQKCADLPNLYCZ-UHFFFAOYSA-N
Compound name
N-phenylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

314
Patents

213.06122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06850 145.3
[M+Na]+ 236.05044 159.4
[M+NH4]+ 231.09504 155.6
[M+K]+ 252.02438 149.0
[M-H]- 212.05394 151.5
[M+Na-2H]- 234.03589 155.9
[M]+ 213.06067 149.6
[M]- 213.06177 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe