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 168.2
[M+Na]+ 261.98122 179.8
[M-H]- 237.98472 173.2
[M+NH4]+ 257.02582 182.3
[M+K]+ 277.95516 175.9
[M+H-H2O]+ 221.98926 154.2
[M+HCOO]- 283.99020 175.5
[M+CH3COO]- 298.00585 220.4
[M+Na-2H]- 259.96667 166.3
[M]+ 238.99145 163.4
[M]- 238.99255 163.4
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.