CID 72211848

4-chloro-6-methylnicotinaldehyde

Structural Information

Molecular Formula
C7H6ClNO
SMILES
CC1=CC(=C(C=N1)C=O)Cl
InChI
InChI=1S/C7H6ClNO/c1-5-2-7(8)6(4-10)3-9-5/h2-4H,1H3
InChIKey
VKXKMTOAHKNYLB-UHFFFAOYSA-N
Compound name
4-chloro-6-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

155.0138 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 126.5
[M+Na]+ 178.00302 141.9
[M+NH4]+ 173.04762 135.7
[M+K]+ 193.97696 134.5
[M-H]- 154.00652 128.6
[M+Na-2H]- 175.98847 134.6
[M]+ 155.01325 129.6
[M]- 155.01435 129.6
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

patents stripe