CID 2758174

363179-63-9

Structural Information

Molecular Formula
C8H6Cl3NS
SMILES
CN(C1=CC(=CC(=C1)Cl)Cl)C(=S)Cl
InChI
InChI=1S/C8H6Cl3NS/c1-12(8(11)13)7-3-5(9)2-6(10)4-7/h2-4H,1H3
InChIKey
AXLAYERKFWXJFD-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-N-methylcarbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.92865 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.93593 145.7
[M+Na]+ 275.91787 155.3
[M-H]- 251.92137 149.9
[M+NH4]+ 270.96247 165.2
[M+K]+ 291.89181 150.0
[M+H-H2O]+ 235.92591 142.9
[M+HCOO]- 297.92685 150.8
[M+CH3COO]- 311.94250 195.7
[M+Na-2H]- 273.90332 146.1
[M]+ 252.92810 150.0
[M]- 252.92920 150.0
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.