CID 514907

102830-80-8

Structural Information

Molecular Formula
C14H9Cl2NO
SMILES
C1=CC2=C(N=CC(=C2)Cl)OC1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9Cl2NO/c15-11-4-1-9(2-5-11)13-6-3-10-7-12(16)8-17-14(10)18-13/h1-8,13H
InChIKey
OQPYITHHFVRREP-UHFFFAOYSA-N
Compound name
6-chloro-2-(4-chlorophenyl)-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

277.00613 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01341 157.3
[M+Na]+ 299.99535 168.3
[M-H]- 275.99885 163.4
[M+NH4]+ 295.03995 173.1
[M+K]+ 315.96929 162.5
[M+H-H2O]+ 260.00339 150.0
[M+HCOO]- 322.00433 168.0
[M+CH3COO]- 336.01998 169.6
[M+Na-2H]- 297.98080 164.4
[M]+ 277.00558 160.7
[M]- 277.00668 160.7
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

No patent data available for this compound.