CID 16768997

926257-17-2

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 150.8
[M+Na]+ 270.02923 160.7
[M-H]- 246.03273 156.3
[M+NH4]+ 265.07383 167.6
[M+K]+ 286.00317 155.6
[M+H-H2O]+ 230.03727 143.3
[M+HCOO]- 292.03821 170.2
[M+CH3COO]- 306.05386 190.9
[M+Na-2H]- 268.01468 157.5
[M]+ 247.03946 155.0
[M]- 247.04056 155.0
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