CID 3382466

2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C18H11BrClNO2
SMILES
C1=CC(=CC=C1C2=NC(=CC(=C2)C(=O)O)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C18H11BrClNO2/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
APLDOGUHCNVFLZ-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

386.96616 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.97344 177.1
[M+Na]+ 409.95538 189.4
[M-H]- 385.95888 186.9
[M+NH4]+ 404.99998 191.3
[M+K]+ 425.92932 175.1
[M+H-H2O]+ 369.96342 175.4
[M+HCOO]- 431.96436 191.3
[M+CH3COO]- 445.98001 189.8
[M+Na-2H]- 407.94083 181.5
[M]+ 386.96561 197.4
[M]- 386.96671 197.4
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

patents stripe