CID 165978891

4,6-dichloro-3-methylpyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H5Cl2NO
SMILES
CC1=C(N=C(C=C1Cl)Cl)C=O
InChI
InChI=1S/C7H5Cl2NO/c1-4-5(8)2-7(9)10-6(4)3-11/h2-3H,1H3
InChIKey
OUHOZFXRBKNFEK-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97482 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.982096 130.8
[M+Na]+ 211.964038 143.2
[M-H]- 187.967544 133.3
[M+NH4]+ 207.008643 151.2
[M+K]+ 227.937978 138.3
[M+H-H2O]+ 171.972080 126.6
[M+HCOO]- 233.973021 145.3
[M+CH3COO]- 247.988671 181.2
[M+Na-2H]- 209.949486 136.9
[M]+ 188.97427142 135.1
[M]- 188.97536858 135.1
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.