CID 3035294

P 79

Structural Information

Molecular Formula
C15H14ClNOS
SMILES
C1=CC=C(C=C1)CCNC(=S)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,19)
InChIKey
TZTUTTXERCXIGJ-UHFFFAOYSA-N
Compound name
O-(4-chlorophenyl) N-(2-phenylethyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.04846 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05574 164.5
[M+Na]+ 314.03768 178.9
[M+NH4]+ 309.08228 174.1
[M+K]+ 330.01162 167.8
[M-H]- 290.04118 170.1
[M+Na-2H]- 312.02313 173.9
[M]+ 291.04791 169.0
[M]- 291.04901 169.0
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.