CID 3032479

Sodium benzyldithiocarbamate

Structural Information

Molecular Formula
C8H9NS2
SMILES
C1=CC=C(C=C1)CNC(=S)S
InChI
InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)
InChIKey
NLGSBXAWUUVELO-UHFFFAOYSA-N
Compound name
benzylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

135
Patents

183.01764 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02492 134.2
[M+Na]+ 206.00686 141.6
[M-H]- 182.01036 137.7
[M+NH4]+ 201.05146 154.4
[M+K]+ 221.98080 137.0
[M+H-H2O]+ 166.01490 128.3
[M+HCOO]- 228.01584 147.9
[M+CH3COO]- 242.03149 181.2
[M+Na-2H]- 203.99231 136.5
[M]+ 183.01709 134.5
[M]- 183.01819 134.5
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