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

4
Patents

212.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.042526 145.7
[M+Na]+ 235.024468 157.5
[M-H]- 211.027974 149.9
[M+NH4]+ 230.069073 163.9
[M+K]+ 250.998408 154.5
[M+H-H2O]+ 195.032510 134.3
[M+HCOO]- 257.033451 162.7
[M+CH3COO]- 271.049101 199.6
[M+Na-2H]- 233.009916 148.7
[M]+ 212.03470142 144.9
[M]- 212.03579858 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