CID 12163147

285991-71-1

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CC1(C2=C(C(=NC=C2)Cl)C(=O)O1)C
InChI
InChI=1S/C9H8ClNO2/c1-9(2)5-3-4-11-7(10)6(5)8(12)13-9/h3-4H,1-2H3
InChIKey
SYUCKMHGOHWLJH-UHFFFAOYSA-N
Compound name
4-chloro-1,1-dimethylfuro[3,4-c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.02435 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 135.9
[M+Na]+ 220.01357 150.3
[M+NH4]+ 215.05817 146.5
[M+K]+ 235.98751 143.8
[M-H]- 196.01707 138.8
[M+Na-2H]- 217.99902 142.5
[M]+ 197.02380 139.3
[M]- 197.02490 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe