CID 5081750

N-(2,3-dichlorophenyl)cyanothioformamide

Structural Information

Molecular Formula
C8H4Cl2N2S
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=S)C#N
InChI
InChI=1S/C8H4Cl2N2S/c9-5-2-1-3-6(8(5)10)12-7(13)4-11/h1-3H,(H,12,13)
InChIKey
MVGFPWAQOVDAJL-UHFFFAOYSA-N
Compound name
1-cyano-N-(2,3-dichlorophenyl)methanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.94722 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95450 141.0
[M+Na]+ 252.93644 153.8
[M+NH4]+ 247.98104 147.0
[M+K]+ 268.91038 142.2
[M-H]- 228.93994 136.9
[M+Na-2H]- 250.92189 145.4
[M]+ 229.94667 141.8
[M]- 229.94777 141.8
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.