CID 12163147

4-chloro-1,1-dimethyl-1h,3h-furo[3,4-c]pyridin-3-one

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 135.7
[M+Na]+ 220.01357 148.4
[M-H]- 196.01707 140.5
[M+NH4]+ 215.05817 158.9
[M+K]+ 235.98751 145.6
[M+H-H2O]+ 180.02161 131.5
[M+HCOO]- 242.02255 153.3
[M+CH3COO]- 256.03820 181.6
[M+Na-2H]- 217.99902 143.1
[M]+ 197.02380 140.4
[M]- 197.02490 140.4
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.