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 136.5
[M+Na]+ 271.90844 150.9
[M-H]- 247.91194 141.2
[M+NH4]+ 266.95304 157.0
[M+K]+ 287.88238 138.3
[M+H-H2O]+ 231.91648 137.6
[M+HCOO]- 293.91742 151.8
[M+CH3COO]- 307.93307 186.9
[M+Na-2H]- 269.89389 143.0
[M]+ 248.91867 157.4
[M]- 248.91977 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

patents stripe