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

0
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

literature stripe

Patent stripe

patents stripe