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 155.0
[M+Na]+ 297.97338 162.5
[M-H]- 273.97688 158.6
[M+NH4]+ 293.01798 172.5
[M+K]+ 313.94732 156.7
[M+H-H2O]+ 257.98142 150.0
[M+HCOO]- 319.98236 163.3
[M+CH3COO]- 333.99801 193.8
[M+Na-2H]- 295.95883 154.8
[M]+ 274.98361 159.4
[M]- 274.98471 159.4
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.