CID 46311212

1214325-21-9

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
COC(=O)C1=C(C=NC=C1F)Br
InChI
InChI=1S/C7H5BrFNO2/c1-12-7(11)6-4(8)2-10-3-5(6)9/h2-3H,1H3
InChIKey
DMXHIWQLBFVMDH-UHFFFAOYSA-N
Compound name
methyl 3-bromo-5-fluoropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

232.94878 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95606 136.1
[M+Na]+ 255.93800 149.3
[M-H]- 231.94150 140.6
[M+NH4]+ 250.98260 156.7
[M+K]+ 271.91194 139.1
[M+H-H2O]+ 215.94604 135.2
[M+HCOO]- 277.94698 156.3
[M+CH3COO]- 291.96263 186.5
[M+Na-2H]- 253.92345 143.3
[M]+ 232.94823 155.5
[M]- 232.94933 155.5
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

patents stripe