CID 72213789

Methyl 3-(bromomethyl)-2-fluoropyridine-4-carboxylate

Structural Information

Molecular Formula
C8H7BrFNO2
SMILES
COC(=O)C1=C(C(=NC=C1)F)CBr
InChI
InChI=1S/C8H7BrFNO2/c1-13-8(12)5-2-3-11-7(10)6(5)4-9/h2-3H,4H2,1H3
InChIKey
KCCQRUZYQAFRPK-UHFFFAOYSA-N
Compound name
methyl 3-(bromomethyl)-2-fluoropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.96442 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97170 140.8
[M+Na]+ 269.95364 153.6
[M-H]- 245.95714 145.1
[M+NH4]+ 264.99824 160.9
[M+K]+ 285.92758 143.1
[M+H-H2O]+ 229.96168 139.7
[M+HCOO]- 291.96262 160.6
[M+CH3COO]- 305.97827 189.3
[M+Na-2H]- 267.93909 147.5
[M]+ 246.96387 160.5
[M]- 246.96497 160.5
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.