CID 21837514

8-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
C1COC2=NC=CC(=C2O1)Cl
InChI
InChI=1S/C7H6ClNO2/c8-5-1-2-9-7-6(5)10-3-4-11-7/h1-2H,3-4H2
InChIKey
DEJQDCVTJHJEMP-UHFFFAOYSA-N
Compound name
8-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

171.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.015986 129.1
[M+Na]+ 193.997928 138.5
[M-H]- 170.001434 133.3
[M+NH4]+ 189.042533 147.4
[M+K]+ 209.971868 137.9
[M+H-H2O]+ 154.005970 123.3
[M+HCOO]- 216.006911 143.9
[M+CH3COO]- 230.022561 143.1
[M+Na-2H]- 191.983376 139.9
[M]+ 171.00816142 131.1
[M]- 171.00925858 131.1
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