CID 3032589

13037-31-5

Structural Information

Molecular Formula
C14H12ClNS2
SMILES
C1=CC=C(C=C1)CSC(=S)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H12ClNS2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKey
FOGXNUMIRYZQDB-UHFFFAOYSA-N
Compound name
benzyl N-(3-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.00998 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.01726 159.6
[M+Na]+ 315.99920 167.7
[M-H]- 292.00270 166.1
[M+NH4]+ 311.04380 176.4
[M+K]+ 331.97314 159.6
[M+H-H2O]+ 276.00724 153.7
[M+HCOO]- 338.00818 168.9
[M+CH3COO]- 352.02383 170.9
[M+Na-2H]- 313.98465 161.2
[M]+ 293.00943 162.0
[M]- 293.01053 162.0
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.