CID 165751718

2758001-32-8

Structural Information

Molecular Formula
C6H2BrF2NO2
SMILES
C1=C(C(=C(C(=N1)F)F)C(=O)O)Br
InChI
InChI=1S/C6H2BrF2NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKey
KLDVLUSYVMOQEY-UHFFFAOYSA-N
Compound name
5-bromo-2,3-difluoropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.9237 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.93098 135.5
[M+Na]+ 259.91292 149.4
[M-H]- 235.91642 137.7
[M+NH4]+ 254.95752 155.3
[M+K]+ 275.88686 138.0
[M+H-H2O]+ 219.92096 134.1
[M+HCOO]- 281.92190 153.4
[M+CH3COO]- 295.93755 185.6
[M+Na-2H]- 257.89837 141.3
[M]+ 236.92315 152.0
[M]- 236.92425 152.0
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.