CID 10999624

2-bromo-5-chloro-3-fluoropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H2BrClFNO2
SMILES
C1=C(C(=C(C(=N1)Br)F)C(=O)O)Cl
InChI
InChI=1S/C6H2BrClFNO2/c7-5-4(9)3(6(11)12)2(8)1-10-5/h1H,(H,11,12)
InChIKey
QRVYYWFRDLOAQR-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-3-fluoropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.89415 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.90143 135.2
[M+Na]+ 275.88337 150.0
[M-H]- 251.88687 138.7
[M+NH4]+ 270.92797 155.4
[M+K]+ 291.85731 137.2
[M+H-H2O]+ 235.89141 135.6
[M+HCOO]- 297.89235 149.9
[M+CH3COO]- 311.90800 186.6
[M+Na-2H]- 273.86882 141.6
[M]+ 252.89360 154.6
[M]- 252.89470 154.6
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.

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No patent data available for this compound.