CID 4657354

P-tolyl n-phenyldithiocarbamate

Structural Information

Molecular Formula
C14H13NS2
SMILES
CC1=CC=C(C=C1)SC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H13NS2/c1-11-7-9-13(10-8-11)17-14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChIKey
TUVQKITVFXKNBO-UHFFFAOYSA-N
Compound name
(4-methylphenyl) N-phenylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.04895 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05623 153.3
[M+Na]+ 282.03817 166.7
[M+NH4]+ 277.08277 163.6
[M+K]+ 298.01211 154.7
[M-H]- 258.04167 159.5
[M+Na-2H]- 280.02362 162.5
[M]+ 259.04840 158.1
[M]- 259.04950 158.1
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