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

29
Patents

246.99966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00694 144.3
[M+Na]+ 269.98888 151.1
[M+NH4]+ 265.03348 150.5
[M+K]+ 285.96282 148.9
[M-H]- 245.99238 147.7
[M+Na-2H]- 267.97433 151.8
[M]+ 246.99911 145.3
[M]- 247.00021 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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