CID 90486424

2-chloro-6-p-tolylpyridine-4-carbaldehyde

Structural Information

Molecular Formula
C13H10ClNO
SMILES
CC1=CC=C(C=C1)C2=NC(=CC(=C2)C=O)Cl
InChI
InChI=1S/C13H10ClNO/c1-9-2-4-11(5-3-9)12-6-10(8-16)7-13(14)15-12/h2-8H,1H3
InChIKey
KGOOPCGTEHOUHX-UHFFFAOYSA-N
Compound name
2-chloro-6-(4-methylphenyl)pyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05237 148.3
[M+Na]+ 254.03431 165.9
[M+NH4]+ 249.07891 157.8
[M+K]+ 270.00825 156.7
[M-H]- 230.03781 153.2
[M+Na-2H]- 252.01976 158.8
[M]+ 231.04454 152.8
[M]- 231.04564 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.