CID 3032593

13037-38-2

Structural Information

Molecular Formula
C8H7BrClNS2
SMILES
CSC(=S)NC1=CC(=C(C=C1)Br)Cl
InChI
InChI=1S/C8H7BrClNS2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
InChIKey
AIOSDZBCCJWEMH-UHFFFAOYSA-N
Compound name
methyl N-(4-bromo-3-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.8892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.89648 131.0
[M+Na]+ 317.87842 134.7
[M+NH4]+ 312.92302 137.5
[M+K]+ 333.85236 131.5
[M-H]- 293.88192 133.0
[M+Na-2H]- 315.86387 135.3
[M]+ 294.88865 132.1
[M]- 294.88975 132.1
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.