CID 129958382

1256788-52-9

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
CC1=CC(=C(N=C1Br)C(=O)O)F
InChI
InChI=1S/C7H5BrFNO2/c1-3-2-4(9)5(7(11)12)10-6(3)8/h2H,1H3,(H,11,12)
InChIKey
HZDIGGPUFHBKHW-UHFFFAOYSA-N
Compound name
6-bromo-3-fluoro-5-methylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.94878 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.956056 136.3
[M+Na]+ 255.937998 149.8
[M-H]- 231.941504 139.8
[M+NH4]+ 250.982603 156.4
[M+K]+ 271.911938 138.7
[M+H-H2O]+ 215.946040 135.7
[M+HCOO]- 277.946981 155.0
[M+CH3COO]- 291.962631 185.8
[M+Na-2H]- 253.923446 142.3
[M]+ 232.94823142 154.3
[M]- 232.94932858 154.3
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.