CID 3032344

Methyl phenyldithiocarbamate

Structural Information

Molecular Formula
C8H9NS2
SMILES
CSC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C8H9NS2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey
MOOSRNWDPWTOBF-UHFFFAOYSA-N
Compound name
methyl N-phenylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

183.01764 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02492 134.4
[M+Na]+ 206.00686 141.9
[M-H]- 182.01036 137.9
[M+NH4]+ 201.05146 154.7
[M+K]+ 221.98080 137.3
[M+H-H2O]+ 166.01490 128.6
[M+HCOO]- 228.01584 148.1
[M+CH3COO]- 242.03149 180.5
[M+Na-2H]- 203.99231 136.7
[M]+ 183.01709 134.6
[M]- 183.01819 134.6
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