CID 3032381

Carbamic acid, benzyldithio-, benzyl ester

Structural Information

Molecular Formula
C15H15NS2
SMILES
C1=CC=C(C=C1)CNC(=S)SCC2=CC=CC=C2
InChI
InChI=1S/C15H15NS2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKey
ZFZFYOLSWJXPJK-UHFFFAOYSA-N
Compound name
benzyl N-benzylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

273.0646 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07188 158.3
[M+Na]+ 296.05382 164.7
[M-H]- 272.05732 164.2
[M+NH4]+ 291.09842 174.8
[M+K]+ 312.02776 157.7
[M+H-H2O]+ 256.06186 151.0
[M+HCOO]- 318.06280 171.8
[M+CH3COO]- 332.07845 169.2
[M+Na-2H]- 294.03927 160.4
[M]+ 273.06405 158.6
[M]- 273.06515 158.6
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.