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

5
Patents

430.91565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.92293 171.4
[M+Na]+ 453.90487 180.8
[M-H]- 429.90837 180.8
[M+NH4]+ 448.94947 184.3
[M+K]+ 469.87881 165.4
[M+H-H2O]+ 413.91291 178.2
[M+HCOO]- 475.91385 185.0
[M+CH3COO]- 489.92950 183.2
[M+Na-2H]- 451.89032 175.9
[M]+ 430.91510 204.9
[M]- 430.91620 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