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]+ 198.031626 135.7
[M+Na]+ 220.013568 148.4
[M-H]- 196.017074 140.5
[M+NH4]+ 215.058173 158.9
[M+K]+ 235.987508 145.6
[M+H-H2O]+ 180.021610 131.5
[M+HCOO]- 242.022551 153.3
[M+CH3COO]- 256.038201 181.6
[M+Na-2H]- 217.999016 143.1
[M]+ 197.02380142 140.4
[M]- 197.02489858 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

literature stripe

Patent stripe

patents stripe