CID 24700025

2-(4-bromophenoxy)-5-methylpyridine

Structural Information

Molecular Formula
C12H10BrNO
SMILES
CC1=CN=C(C=C1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrNO/c1-9-2-7-12(14-8-9)15-11-5-3-10(13)4-6-11/h2-8H,1H3
InChIKey
RZXUVVWLPHZLQB-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.99457 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.001846 147.9
[M+Na]+ 285.983788 160.0
[M-H]- 261.987294 156.1
[M+NH4]+ 281.028393 167.1
[M+K]+ 301.957728 148.8
[M+H-H2O]+ 245.991830 146.9
[M+HCOO]- 307.992771 169.4
[M+CH3COO]- 322.008421 192.7
[M+Na-2H]- 283.969236 156.6
[M]+ 262.99402142 167.6
[M]- 262.99511858 167.6
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