CID 74891335

3-chloro-5-methoxypyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H6ClNO2
SMILES
COC1=CC(=C(N=C1)C=O)Cl
InChI
InChI=1S/C7H6ClNO2/c1-11-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3
InChIKey
RCLQWZVYMOHFFJ-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxypyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.00871 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.01599 128.4
[M+Na]+ 193.99793 139.6
[M-H]- 170.00143 131.4
[M+NH4]+ 189.04253 148.9
[M+K]+ 209.97187 136.7
[M+H-H2O]+ 154.00597 123.3
[M+HCOO]- 216.00691 148.5
[M+CH3COO]- 230.02256 177.2
[M+Na-2H]- 191.98338 136.1
[M]+ 171.00816 133.0
[M]- 171.00926 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