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 154.1
[M+Na]+ 282.03817 161.6
[M-H]- 258.04167 160.4
[M+NH4]+ 277.08277 171.3
[M+K]+ 298.01211 154.9
[M+H-H2O]+ 242.04621 147.1
[M+HCOO]- 304.04715 167.8
[M+CH3COO]- 318.06280 165.7
[M+Na-2H]- 280.02362 155.9
[M]+ 259.04840 154.4
[M]- 259.04950 154.4
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