CID 25678

Lead(2+) ethylphenyldithiocarbamate

Structural Information

Molecular Formula
C9H11NS2
SMILES
CCN(C1=CC=CC=C1)C(=S)S
InChI
InChI=1S/C9H11NS2/c1-2-10(9(11)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)
InChIKey
BDSYEKLSEKMQDH-UHFFFAOYSA-N
Compound name
ethyl(phenyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

4897
Patents

197.0333 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04058 139.0
[M+Na]+ 220.02252 146.0
[M-H]- 196.02602 143.8
[M+NH4]+ 215.06712 159.2
[M+K]+ 235.99646 142.6
[M+H-H2O]+ 180.03056 132.6
[M+HCOO]- 242.03150 152.7
[M+CH3COO]- 256.04715 187.6
[M+Na-2H]- 218.00797 140.2
[M]+ 197.03275 140.9
[M]- 197.03385 140.9
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.