CID 66545125

4-[(6-chloropyridin-3-yl)methyl]benzaldehyde

Structural Information

Molecular Formula
C13H10ClNO
SMILES
C1=CC(=CC=C1CC2=CN=C(C=C2)Cl)C=O
InChI
InChI=1S/C13H10ClNO/c14-13-6-5-12(8-15-13)7-10-1-3-11(9-16)4-2-10/h1-6,8-9H,7H2
InChIKey
XNANGQYLMXGBOO-UHFFFAOYSA-N
Compound name
4-[(6-chloropyridin-3-yl)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05237 147.7
[M+Na]+ 254.03431 157.7
[M-H]- 230.03781 153.2
[M+NH4]+ 249.07891 165.2
[M+K]+ 270.00825 152.0
[M+H-H2O]+ 214.04235 140.4
[M+HCOO]- 276.04329 166.9
[M+CH3COO]- 290.05894 188.9
[M+Na-2H]- 252.01976 154.5
[M]+ 231.04454 150.5
[M]- 231.04564 150.5
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.