CID 16768997

5-chloro-2-(pyridin-3-ylmethoxy)benzaldehyde

Structural Information

Molecular Formula
C13H10ClNO2
SMILES
C1=CC(=CN=C1)COC2=C(C=C(C=C2)Cl)C=O
InChI
InChI=1S/C13H10ClNO2/c14-12-3-4-13(11(6-12)8-16)17-9-10-2-1-5-15-7-10/h1-8H,9H2
InChIKey
WZFSOAFPDBUGNT-UHFFFAOYSA-N
Compound name
5-chloro-2-(pyridin-3-ylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

247.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04729 151.6
[M+Na]+ 270.02923 168.3
[M+NH4]+ 265.07383 160.5
[M+K]+ 286.00317 159.5
[M-H]- 246.03273 155.9
[M+Na-2H]- 268.01468 161.9
[M]+ 247.03946 155.7
[M]- 247.04056 155.7
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

patents stripe