CID 3032749

Carbonic acid, thio-, anhydrosulfide with m-chlorodithiocarbanilic acid, ethyl ester

Structural Information

Molecular Formula
C10H10ClNO2S2
SMILES
CCOC(=O)SC(=S)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C10H10ClNO2S2/c1-2-14-10(13)16-9(15)12-8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H,12,15)
InChIKey
FJNGPEZYEHLNKW-UHFFFAOYSA-N
Compound name
ethyl (3-chlorophenyl)carbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.98416 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.99144 157.6
[M+Na]+ 297.97338 168.1
[M+NH4]+ 293.01798 165.8
[M+K]+ 313.94732 158.3
[M-H]- 273.97688 159.6
[M+Na-2H]- 295.95883 162.0
[M]+ 274.98361 160.7
[M]- 274.98471 160.7
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.