CID 27161357

O-(2,4-dichlorobenzyl) phenylthiocarbamate

Structural Information

Molecular Formula
C14H11Cl2NOS
SMILES
C1=CC=C(C=C1)NC(=S)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NOS/c15-11-7-6-10(13(16)8-11)9-18-14(19)17-12-4-2-1-3-5-12/h1-8H,9H2,(H,17,19)
InChIKey
XIFXBPOTBDTFRB-UHFFFAOYSA-N
Compound name
O-[(2,4-dichlorophenyl)methyl] N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.99384 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00112 167.6
[M+Na]+ 333.98306 182.9
[M+NH4]+ 329.02766 177.3
[M+K]+ 349.95700 171.5
[M-H]- 309.98656 173.0
[M+Na-2H]- 331.96851 176.7
[M]+ 310.99329 172.5
[M]- 310.99439 172.5
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.