CID 514908

102830-81-9

Structural Information

Molecular Formula
C14H10BrNO
SMILES
C1=CC=C(C=C1)C2C=CC3=C(O2)N=CC(=C3)Br
InChI
InChI=1S/C14H10BrNO/c15-12-8-11-6-7-13(17-14(11)16-9-12)10-4-2-1-3-5-10/h1-9,13H
InChIKey
HAWPOVRQHFBASB-UHFFFAOYSA-N
Compound name
6-bromo-2-phenyl-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

286.99457 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.00185 156.4
[M+Na]+ 309.98379 167.9
[M-H]- 285.98729 165.6
[M+NH4]+ 305.02839 174.1
[M+K]+ 325.95773 157.3
[M+H-H2O]+ 269.99183 155.1
[M+HCOO]- 331.99277 174.8
[M+CH3COO]- 346.00842 170.6
[M+Na-2H]- 307.96924 166.2
[M]+ 286.99402 174.7
[M]- 286.99512 174.7
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.