CID 23035630

4,6-dichloro-2-methylpyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C6H4Cl2N2O
SMILES
CC1=NC(=C(C(=N1)Cl)C=O)Cl
InChI
InChI=1S/C6H4Cl2N2O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3
InChIKey
DOMBYPXLCGLBRD-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-methylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

189.97006 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.977336 130.6
[M+Na]+ 212.959278 143.3
[M-H]- 188.962784 131.6
[M+NH4]+ 208.003883 149.5
[M+K]+ 228.933218 138.6
[M+H-H2O]+ 172.967320 125.4
[M+HCOO]- 234.968261 144.0
[M+CH3COO]- 248.983911 180.9
[M+Na-2H]- 210.944726 137.1
[M]+ 189.96951142 134.8
[M]- 189.97060858 134.8
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