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 145.7
[M+Na]+ 235.02447 157.5
[M-H]- 211.02797 149.9
[M+NH4]+ 230.06907 163.9
[M+K]+ 250.99841 154.5
[M+H-H2O]+ 195.03251 134.3
[M+HCOO]- 257.03345 162.7
[M+CH3COO]- 271.04910 199.6
[M+Na-2H]- 233.00992 148.7
[M]+ 212.03470 144.9
[M]- 212.03580 144.9
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