CID 71757352

4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H5BrClNO2
SMILES
CC1=NC=C(C(=C1Cl)Br)C(=O)O
InChI
InChI=1S/C7H5BrClNO2/c1-3-6(9)5(8)4(2-10-3)7(11)12/h2H,1H3,(H,11,12)
InChIKey
CDNKCFKEXAESCN-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-6-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.91922 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.926496 136.5
[M+Na]+ 271.908438 150.9
[M-H]- 247.911944 141.2
[M+NH4]+ 266.953043 157.0
[M+K]+ 287.882378 138.3
[M+H-H2O]+ 231.916480 137.6
[M+HCOO]- 293.917421 151.8
[M+CH3COO]- 307.933071 186.9
[M+Na-2H]- 269.893886 143.0
[M]+ 248.91867142 157.4
[M]- 248.91976858 157.4
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.