CID 514910

4h-pyrano(2,3-b)pyridine, 6-bromo-2-(3,4-dichlorophenyl)-

Structural Information

Molecular Formula
C14H8BrCl2NO
SMILES
C1C=C(OC2=C1C=C(C=N2)Br)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8BrCl2NO/c15-10-5-9-2-4-13(19-14(9)18-7-10)8-1-3-11(16)12(17)6-8/h1,3-7H,2H2
InChIKey
OMYVDEJYAGHYAZ-UHFFFAOYSA-N
Compound name
6-bromo-2-(3,4-dichlorophenyl)-4H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

354.91663 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.92391 166.2
[M+Na]+ 377.90585 180.8
[M-H]- 353.90935 175.0
[M+NH4]+ 372.95045 183.2
[M+K]+ 393.87979 167.6
[M+H-H2O]+ 337.91389 165.9
[M+HCOO]- 399.91483 175.1
[M+CH3COO]- 413.93048 180.0
[M+Na-2H]- 375.89130 173.6
[M]+ 354.91608 188.2
[M]- 354.91718 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe