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

22
Patents

171.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01599 129.2
[M+Na]+ 193.99793 144.6
[M+NH4]+ 189.04253 139.1
[M+K]+ 209.97187 138.0
[M-H]- 170.00143 134.4
[M+Na-2H]- 191.98338 135.8
[M]+ 171.00816 133.3
[M]- 171.00926 133.3
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