CID 89966182

6-chloro-2,3-dihydro-4h-pyrano[3,2-b]pyridin-4-one

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1COC2=C(C1=O)N=C(C=C2)Cl
InChI
InChI=1S/C8H6ClNO2/c9-7-2-1-6-8(10-7)5(11)3-4-12-6/h1-2H,3-4H2
InChIKey
CWIVNVJBMZIKRH-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

183.00871 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 131.8
[M+Na]+ 205.99793 142.1
[M-H]- 182.00143 135.8
[M+NH4]+ 201.04253 151.2
[M+K]+ 221.97187 139.6
[M+H-H2O]+ 166.00597 126.2
[M+HCOO]- 228.00691 147.6
[M+CH3COO]- 242.02256 145.8
[M+Na-2H]- 203.98338 140.8
[M]+ 183.00816 133.4
[M]- 183.00926 133.4
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

patents stripe