CID 118800365

4-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H4BrF2NO2
SMILES
C1=CN=C(C(=C1Br)C(F)F)C(=O)O
InChI
InChI=1S/C7H4BrF2NO2/c8-3-1-2-11-5(7(12)13)4(3)6(9)10/h1-2,6H,(H,12,13)
InChIKey
ORRUOEXQRSZKGG-UHFFFAOYSA-N
Compound name
4-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.93935 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.946626 141.1
[M+Na]+ 273.928568 153.4
[M-H]- 249.932074 142.8
[M+NH4]+ 268.973173 160.0
[M+K]+ 289.902508 142.2
[M+H-H2O]+ 233.936610 139.4
[M+HCOO]- 295.937551 157.8
[M+CH3COO]- 309.953201 188.1
[M+Na-2H]- 271.914016 145.8
[M]+ 250.93880142 156.9
[M]- 250.93989858 156.9
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.