CID 3032584

Ethyl n-phenylcarbamodithioate

Structural Information

Molecular Formula
C9H11NS2
SMILES
CCSC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C9H11NS2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKey
GWCGONFKYSQUBK-UHFFFAOYSA-N
Compound name
ethyl N-phenylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

197.0333 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04058 138.7
[M+Na]+ 220.02252 145.7
[M-H]- 196.02602 142.0
[M+NH4]+ 215.06712 158.4
[M+K]+ 235.99646 140.9
[M+H-H2O]+ 180.03056 132.6
[M+HCOO]- 242.03150 152.1
[M+CH3COO]- 256.04715 183.5
[M+Na-2H]- 218.00797 140.5
[M]+ 197.03275 139.2
[M]- 197.03385 139.2
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.