CID 16227354

2-chloro-n-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
CC1=C(OC(=C1C#N)NC(=O)CCl)C
InChI
InChI=1S/C9H9ClN2O2/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13)
InChIKey
QREPPBBMIDFWEQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 141.9
[M+Na]+ 235.02447 152.8
[M+NH4]+ 230.06907 146.0
[M+K]+ 250.99841 146.3
[M-H]- 211.02797 136.8
[M+Na-2H]- 233.00992 143.5
[M]+ 212.03470 141.3
[M]- 212.03580 141.3
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