CID 90486426

881402-41-1

Structural Information

Molecular Formula
C12H7BrClNO
SMILES
C1=CC(=CC=C1C2=NC(=CC(=C2)C=O)Cl)Br
InChI
InChI=1S/C12H7BrClNO/c13-10-3-1-9(2-4-10)11-5-8(7-16)6-12(14)15-11/h1-7H
InChIKey
OHEWAKGYJZLRDO-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-6-chloropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.93994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.94722 150.9
[M+Na]+ 317.92916 165.2
[M-H]- 293.93266 159.4
[M+NH4]+ 312.97376 170.1
[M+K]+ 333.90310 151.6
[M+H-H2O]+ 277.93720 150.7
[M+HCOO]- 339.93814 168.2
[M+CH3COO]- 353.95379 196.5
[M+Na-2H]- 315.91461 158.7
[M]+ 294.93939 172.4
[M]- 294.94049 172.4
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

No patent data available for this compound.