CID 2756651

24053-61-0

Structural Information

Molecular Formula
C14H12ClNS
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)Cl
InChI
InChI=1S/C14H12ClNS/c15-14(17)16(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
DKINTRVAPMEUTA-UHFFFAOYSA-N
Compound name
N-benzyl-N-phenylcarbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0379 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04518 156.4
[M+Na]+ 284.02712 171.3
[M+NH4]+ 279.07172 167.0
[M+K]+ 300.00106 160.2
[M-H]- 260.03062 162.9
[M+Na-2H]- 282.01257 167.0
[M]+ 261.03735 161.3
[M]- 261.03845 161.3
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.