CID 3032699

Carbonic acid, thio-, anhydrosulfide with 3,4-dichlorodithiocarbanilic acid, ethyl ester

Structural Information

Molecular Formula
C10H9Cl2NO2S2
SMILES
CCOC(=O)SC(=S)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H9Cl2NO2S2/c1-2-15-10(14)17-9(16)13-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3,(H,13,16)
InChIKey
FQRLCAKTNMCZOE-UHFFFAOYSA-N
Compound name
ethyl (3,4-dichlorophenyl)carbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.9452 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.95248 158.7
[M+Na]+ 331.93442 166.9
[M-H]- 307.93792 162.3
[M+NH4]+ 326.97902 175.5
[M+K]+ 347.90836 160.2
[M+H-H2O]+ 291.94246 155.1
[M+HCOO]- 353.94340 162.1
[M+CH3COO]- 367.95905 199.3
[M+Na-2H]- 329.91987 157.5
[M]+ 308.94465 164.3
[M]- 308.94575 164.3
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.