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]+ 198.040576 138.7
[M+Na]+ 220.022518 145.7
[M-H]- 196.026024 142.0
[M+NH4]+ 215.067123 158.4
[M+K]+ 235.996458 140.9
[M+H-H2O]+ 180.030560 132.6
[M+HCOO]- 242.031501 152.1
[M+CH3COO]- 256.047151 183.5
[M+Na-2H]- 218.007966 140.5
[M]+ 197.03275142 139.2
[M]- 197.03384858 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

literature stripe

Patent stripe

patents stripe