CID 3032529

Ethyl 4-bromo-3-chlorodithiocarbanilate

Structural Information

Molecular Formula
C9H9BrClNS2
SMILES
CCSC(=S)NC1=CC(=C(C=C1)Br)Cl
InChI
InChI=1S/C9H9BrClNS2/c1-2-14-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKey
QBOMKPAZXWQZQE-UHFFFAOYSA-N
Compound name
ethyl N-(4-bromo-3-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.90482 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.91210 138.4
[M+Na]+ 331.89404 151.5
[M-H]- 307.89754 145.1
[M+NH4]+ 326.93864 159.0
[M+K]+ 347.86798 135.7
[M+H-H2O]+ 291.90208 139.6
[M+HCOO]- 353.90302 145.9
[M+CH3COO]- 367.91867 198.6
[M+Na-2H]- 329.87949 141.8
[M]+ 308.90427 159.7
[M]- 308.90537 159.7
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.