CID 20443958

2,6-bis(4-bromophenyl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C18H11Br2NO2
SMILES
C1=CC(=CC=C1C2=CC(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O)Br
InChI
InChI=1S/C18H11Br2NO2/c19-14-5-1-11(2-6-14)16-9-13(18(22)23)10-17(21-16)12-3-7-15(20)8-4-12/h1-10H,(H,22,23)
InChIKey
AVXWRLXMNKNBOW-UHFFFAOYSA-N
Compound name
2,6-bis(4-bromophenyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

430.91565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.922926 171.4
[M+Na]+ 453.904868 180.8
[M-H]- 429.908374 180.8
[M+NH4]+ 448.949473 184.3
[M+K]+ 469.878808 165.4
[M+H-H2O]+ 413.912910 178.2
[M+HCOO]- 475.913851 185.0
[M+CH3COO]- 489.929501 183.2
[M+Na-2H]- 451.890316 175.9
[M]+ 430.91510142 204.9
[M]- 430.91619858 204.9
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