CID 3032700

Allyl 4-bromo-3-chlorodithiocarbanilate

Structural Information

Molecular Formula
C10H9BrClNS2
SMILES
C=CCSC(=S)NC1=CC(=C(C=C1)Br)Cl
InChI
InChI=1S/C10H9BrClNS2/c1-2-5-15-10(14)13-7-3-4-8(11)9(12)6-7/h2-4,6H,1,5H2,(H,13,14)
InChIKey
MRSVKHMVBOCHPI-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(4-bromo-3-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.90482 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.91210 141.9
[M+Na]+ 343.89404 154.8
[M-H]- 319.89754 148.4
[M+NH4]+ 338.93864 161.9
[M+K]+ 359.86798 138.3
[M+H-H2O]+ 303.90208 143.0
[M+HCOO]- 365.90302 149.3
[M+CH3COO]- 379.91867 200.6
[M+Na-2H]- 341.87949 144.8
[M]+ 320.90427 162.9
[M]- 320.90537 162.9
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.