CID 13128385

5-bromo-2-(2-methylphenyl)pyridine

Structural Information

Molecular Formula
C12H10BrN
SMILES
CC1=CC=CC=C1C2=NC=C(C=C2)Br
InChI
InChI=1S/C12H10BrN/c1-9-4-2-3-5-11(9)12-7-6-10(13)8-14-12/h2-8H,1H3
InChIKey
QKYDTWSRQURVQZ-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-methylphenyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

246.99966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.006936 144.7
[M+Na]+ 269.988878 157.0
[M-H]- 245.992384 153.0
[M+NH4]+ 265.033483 164.7
[M+K]+ 285.962818 145.3
[M+H-H2O]+ 229.996920 144.1
[M+HCOO]- 291.997861 166.1
[M+CH3COO]- 306.013511 160.1
[M+Na-2H]- 267.974326 153.5
[M]+ 246.99911142 163.2
[M]- 247.00020858 163.2
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