CID 3546074

N,1,1-triphenylphosphanecarbothioamide

Structural Information

Molecular Formula
C19H16NPS
SMILES
C1=CC=C(C=C1)NC(=S)P(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16NPS/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChIKey
LFSOYVGHUJONAP-UHFFFAOYSA-N
Compound name
1-diphenylphosphanyl-N-phenylmethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0741 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08138 172.1
[M+Na]+ 344.06332 176.5
[M-H]- 320.06682 179.8
[M+NH4]+ 339.10792 185.9
[M+K]+ 360.03726 170.2
[M+H-H2O]+ 304.07136 160.8
[M+HCOO]- 366.07230 195.5
[M+CH3COO]- 380.08795 208.6
[M+Na-2H]- 342.04877 171.2
[M]+ 321.07355 170.4
[M]- 321.07465 170.4
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

No patent data available for this compound.