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 145.1
[M+Na]+ 341.92284 155.7
[M-H]- 317.92634 151.0
[M+NH4]+ 336.96744 163.8
[M+K]+ 357.89678 142.2
[M+H-H2O]+ 301.93088 144.4
[M+HCOO]- 363.93182 156.1
[M+CH3COO]- 377.94747 199.3
[M+Na-2H]- 339.90829 148.1
[M]+ 318.93307 165.9
[M]- 318.93417 165.9
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.