CID 49761832

3-(4-bromo-2-fluorophenyl)-4-methylpyridine

Structural Information

Molecular Formula
C12H9BrFN
SMILES
CC1=C(C=NC=C1)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C12H9BrFN/c1-8-4-5-15-7-11(8)10-3-2-9(13)6-12(10)14/h2-7H,1H3
InChIKey
YUQKZQGMOWQVGB-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-fluorophenyl)-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.99023 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99751 148.6
[M+Na]+ 287.97945 161.8
[M-H]- 263.98295 155.9
[M+NH4]+ 283.02405 168.1
[M+K]+ 303.95339 149.5
[M+H-H2O]+ 247.98749 147.1
[M+HCOO]- 309.98843 168.9
[M+CH3COO]- 324.00408 163.6
[M+Na-2H]- 285.96490 156.0
[M]+ 264.98968 166.4
[M]- 264.99078 166.4
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

No patent data available for this compound.