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

18
Patents

266.9098 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.91708 139.1
[M+Na]+ 289.89902 154.0
[M-H]- 265.90252 143.8
[M+NH4]+ 284.94362 159.6
[M+K]+ 305.87296 141.9
[M+H-H2O]+ 249.90706 139.1
[M+HCOO]- 311.90800 154.9
[M+CH3COO]- 325.92365 191.2
[M+Na-2H]- 287.88447 145.5
[M]+ 266.90925 160.6
[M]- 266.91035 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