CID 118989037

5-chloro-4-methoxypyridine-3-carbaldehyde

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
COC1=C(C=NC=C1C=O)Cl
InChI
InChI=1S/C7H6ClNO2/c1-11-7-5(4-10)2-9-3-6(7)8/h2-4H,1H3
InChIKey
BJIKGFPZOWVMDI-UHFFFAOYSA-N
Compound name
5-chloro-4-methoxypyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.00871 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.015986 128.4
[M+Na]+ 193.997928 139.6
[M-H]- 170.001434 131.4
[M+NH4]+ 189.042533 148.9
[M+K]+ 209.971868 136.7
[M+H-H2O]+ 154.005970 123.3
[M+HCOO]- 216.006911 148.5
[M+CH3COO]- 230.022561 177.2
[M+Na-2H]- 191.983376 136.1
[M]+ 171.00816142 133.0
[M]- 171.00925858 133.0
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