CID 79727612

2-(4-bromophenoxy)-5-chloro-3-fluoropyridine

Structural Information

Molecular Formula
C11H6BrClFNO
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)F)Br
InChI
InChI=1S/C11H6BrClFNO/c12-7-1-3-9(4-2-7)16-11-10(14)5-8(13)6-15-11/h1-6H
InChIKey
MDNBMPNFYRFJBY-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-5-chloro-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

300.93054 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.93782 151.3
[M+Na]+ 323.91976 165.7
[M-H]- 299.92326 158.5
[M+NH4]+ 318.96436 170.2
[M+K]+ 339.89370 152.4
[M+H-H2O]+ 283.92780 150.2
[M+HCOO]- 345.92874 167.7
[M+CH3COO]- 359.94439 166.3
[M+Na-2H]- 321.90521 158.9
[M]+ 300.92999 172.0
[M]- 300.93109 172.0
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