CID 3032752

Allyl 3,4-dichlorodithiocarbanilate

Structural Information

Molecular Formula
C10H9Cl2NS2
SMILES
C=CCSC(=S)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H9Cl2NS2/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
QLNHJJXJXVKLFA-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(3,4-dichlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.95535 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96263 152.6
[M+Na]+ 299.94457 161.5
[M-H]- 275.94807 156.0
[M+NH4]+ 294.98917 170.8
[M+K]+ 315.91851 153.3
[M+H-H2O]+ 259.95261 149.1
[M+HCOO]- 321.95355 156.4
[M+CH3COO]- 335.96920 195.9
[M+Na-2H]- 297.93002 151.8
[M]+ 276.95480 156.1
[M]- 276.95590 156.1
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

patents stripe