CID 177798694

2932440-68-9

Structural Information

Molecular Formula
C8H7BrFNO2
SMILES
COC(=O)C1=C(C=C(C=N1)CBr)F
InChI
InChI=1S/C8H7BrFNO2/c1-13-8(12)7-6(10)2-5(3-9)4-11-7/h2,4H,3H2,1H3
InChIKey
JCMAAPHUKXXBJL-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)-3-fluoropyridine-2-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]+ 247.971696 140.8
[M+Na]+ 269.953638 153.6
[M-H]- 245.957144 145.1
[M+NH4]+ 264.998243 160.9
[M+K]+ 285.927578 143.1
[M+H-H2O]+ 229.961680 139.7
[M+HCOO]- 291.962621 160.6
[M+CH3COO]- 305.978271 189.3
[M+Na-2H]- 267.939086 147.5
[M]+ 246.96387142 160.5
[M]- 246.96496858 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.