CID 75525692

1211528-83-4

Structural Information

Molecular Formula
C7H4BrClFNO2
SMILES
COC(=O)C1=NC(=C(C=C1F)Br)Cl
InChI
InChI=1S/C7H4BrClFNO2/c1-13-7(12)5-4(10)2-3(8)6(9)11-5/h2H,1H3
InChIKey
BDIVNIGADHTYCY-UHFFFAOYSA-N
Compound name
methyl 5-bromo-6-chloro-3-fluoropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

266.9098 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.917076 139.1
[M+Na]+ 289.899018 154.0
[M-H]- 265.902524 143.8
[M+NH4]+ 284.943623 159.6
[M+K]+ 305.872958 141.9
[M+H-H2O]+ 249.907060 139.1
[M+HCOO]- 311.908001 154.9
[M+CH3COO]- 325.923651 191.2
[M+Na-2H]- 287.884466 145.5
[M]+ 266.90925142 160.6
[M]- 266.91034858 160.6
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