CID 7131628

6-(3-bromophenyl)-2-methylpyridine-3-carboxylic 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 154.6
[M+Na]+ 313.97872 166.4
[M-H]- 289.98222 161.8
[M+NH4]+ 309.02332 172.0
[M+K]+ 329.95266 154.5
[M+H-H2O]+ 273.98676 153.6
[M+HCOO]- 335.98770 173.7
[M+CH3COO]- 350.00335 196.2
[M+Na-2H]- 311.96417 160.4
[M]+ 290.98895 173.3
[M]- 290.99005 173.3
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.