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]+ 189.98210 130.8
[M+Na]+ 211.96404 143.2
[M-H]- 187.96754 133.3
[M+NH4]+ 207.00864 151.2
[M+K]+ 227.93798 138.3
[M+H-H2O]+ 171.97208 126.6
[M+HCOO]- 233.97302 145.3
[M+CH3COO]- 247.98867 181.2
[M+Na-2H]- 209.94949 136.9
[M]+ 188.97427 135.1
[M]- 188.97537 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.