CID 90486425

881402-40-0

Structural Information

Molecular Formula
C12H7Cl2NO
SMILES
C1=CC(=CC=C1C2=NC(=CC(=C2)C=O)Cl)Cl
InChI
InChI=1S/C12H7Cl2NO/c13-10-3-1-9(2-4-10)11-5-8(7-16)6-12(14)15-11/h1-7H
InChIKey
RGNVGKRMVDGSBF-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-chlorophenyl)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.99046 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.99774 148.7
[M+Na]+ 273.97968 160.3
[M-H]- 249.98318 153.8
[M+NH4]+ 269.02428 166.1
[M+K]+ 289.95362 153.7
[M+H-H2O]+ 233.98772 142.3
[M+HCOO]- 295.98866 162.9
[M+CH3COO]- 310.00431 161.8
[M+Na-2H]- 271.96513 154.4
[M]+ 250.98991 152.6
[M]- 250.99101 152.6
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.