CID 72212284

3-chloro-6-methylpicolinaldehyde

Structural Information

Molecular Formula
C7H6ClNO
SMILES
CC1=NC(=C(C=C1)Cl)C=O
InChI
InChI=1S/C7H6ClNO/c1-5-2-3-6(8)7(4-10)9-5/h2-4H,1H3
InChIKey
WIIVFNPYTNAFBN-UHFFFAOYSA-N
Compound name
3-chloro-6-methylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.0138 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 125.5
[M+Na]+ 178.00302 136.7
[M-H]- 154.00652 128.4
[M+NH4]+ 173.04762 146.6
[M+K]+ 193.97696 133.3
[M+H-H2O]+ 138.01106 120.5
[M+HCOO]- 200.01200 145.2
[M+CH3COO]- 214.02765 175.2
[M+Na-2H]- 175.98847 133.1
[M]+ 155.01325 128.6
[M]- 155.01435 128.6
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.