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

37
Patents

246.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00694 145.9
[M+Na]+ 269.98888 156.1
[M-H]- 245.99238 153.5
[M+NH4]+ 265.03348 165.2
[M+K]+ 285.96282 144.8
[M+H-H2O]+ 229.99692 145.0
[M+HCOO]- 291.99786 166.3
[M+CH3COO]- 306.01351 160.4
[M+Na-2H]- 267.97433 154.9
[M]+ 246.99911 163.0
[M]- 247.00021 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