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 134.1
[M+Na]+ 317.87842 147.6
[M-H]- 293.88192 141.0
[M+NH4]+ 312.92302 155.2
[M+K]+ 333.85236 132.1
[M+H-H2O]+ 277.88646 135.5
[M+HCOO]- 339.88740 142.0
[M+CH3COO]- 353.90305 195.9
[M+Na-2H]- 315.86387 138.0
[M]+ 294.88865 155.1
[M]- 294.88975 155.1
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.