CID 89966182

1936199-87-9

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]+ 184.015986 131.8
[M+Na]+ 205.997928 142.1
[M-H]- 182.001434 135.8
[M+NH4]+ 201.042533 151.2
[M+K]+ 221.971868 139.6
[M+H-H2O]+ 166.005970 126.2
[M+HCOO]- 228.006911 147.6
[M+CH3COO]- 242.022561 145.8
[M+Na-2H]- 203.983376 140.8
[M]+ 183.00816142 133.4
[M]- 183.00925858 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