CID 87712705

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

Structural Information

Molecular Formula
C7H5BrClNO2
SMILES
CC1=C(C(=NC=C1C(=O)O)Cl)Br
InChI
InChI=1S/C7H5BrClNO2/c1-3-4(7(11)12)2-10-6(9)5(3)8/h2H,1H3,(H,11,12)
InChIKey
QNRDSCKYNIDJNA-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-4-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.91922 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.92650 140.3
[M+Na]+ 271.90844 144.9
[M+NH4]+ 266.95304 144.6
[M+K]+ 287.88238 145.3
[M-H]- 247.91194 139.7
[M+Na-2H]- 269.89389 143.3
[M]+ 248.91867 139.8
[M]- 248.91977 139.8
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

patents stripe