CID 7131628

6-(3-bromophenyl)-2-methylnicotinic acid

Structural Information

Molecular Formula
C13H10BrNO2
SMILES
CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C13H10BrNO2/c1-8-11(13(16)17)5-6-12(15-8)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,16,17)
InChIKey
RYEWOJILRDBBDR-UHFFFAOYSA-N
Compound name
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

290.9895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99678 153.8
[M+Na]+ 313.97872 159.2
[M+NH4]+ 309.02332 158.2
[M+K]+ 329.95266 158.8
[M-H]- 289.98222 155.5
[M+Na-2H]- 311.96417 159.1
[M]+ 290.98895 153.9
[M]- 290.99005 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.