CID 19837285

2-[bromo(phenyl)methyl]pyridine

Structural Information

Molecular Formula
C12H10BrN
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=N2)Br
InChI
InChI=1S/C12H10BrN/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-9,12H
InChIKey
ZFTRBKARTSPICK-UHFFFAOYSA-N
Compound name
2-[bromo(phenyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

246.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.006936 145.9
[M+Na]+ 269.988878 156.1
[M-H]- 245.992384 153.5
[M+NH4]+ 265.033483 165.2
[M+K]+ 285.962818 144.8
[M+H-H2O]+ 229.996920 145.0
[M+HCOO]- 291.997861 166.3
[M+CH3COO]- 306.013511 160.4
[M+Na-2H]- 267.974326 154.9
[M]+ 246.99911142 163.0
[M]- 247.00020858 163.0
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