CID 2427273

2-chloro-n-(3,5-dicyano-4-methylthiophen-2-yl)acetamide

Structural Information

Molecular Formula
C9H6ClN3OS
SMILES
CC1=C(SC(=C1C#N)NC(=O)CCl)C#N
InChI
InChI=1S/C9H6ClN3OS/c1-5-6(3-11)9(13-8(14)2-10)15-7(5)4-12/h2H2,1H3,(H,13,14)
InChIKey
YJFWQWAWGIMLCU-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dicyano-4-methylthiophen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.992 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.99928 162.6
[M+Na]+ 261.98122 170.2
[M+NH4]+ 257.02582 163.4
[M+K]+ 277.95516 160.6
[M-H]- 237.98472 152.7
[M+Na-2H]- 259.96667 161.3
[M]+ 238.99145 160.0
[M]- 238.99255 160.0
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.