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

126
Patents

189.97006 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.97734 130.6
[M+Na]+ 212.95928 143.3
[M-H]- 188.96278 131.6
[M+NH4]+ 208.00388 149.5
[M+K]+ 228.93322 138.6
[M+H-H2O]+ 172.96732 125.4
[M+HCOO]- 234.96826 144.0
[M+CH3COO]- 248.98391 180.9
[M+Na-2H]- 210.94473 137.1
[M]+ 189.96951 134.8
[M]- 189.97061 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