CID 3032750

Carbonic acid, thio-, anhydrosulfide with p-bromodithiocarbanilic acid, ethyl ester

Structural Information

Molecular Formula
C10H10BrNO2S2
SMILES
CCOC(=O)SC(=S)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H10BrNO2S2/c1-2-14-10(13)16-9(15)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,15)
InChIKey
GSFRNTXHWXJXCJ-UHFFFAOYSA-N
Compound name
ethyl (4-bromophenyl)carbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.93362 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.94090 136.6
[M+Na]+ 341.92284 137.8
[M+NH4]+ 336.96744 141.3
[M+K]+ 357.89678 136.4
[M-H]- 317.92634 137.2
[M+Na-2H]- 339.90829 139.7
[M]+ 318.93307 136.4
[M]- 318.93417 136.4
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.