CID 21218317

2,6-dichloropyrimidine-4-carbaldehyde

Structural Information

Molecular Formula
C5H2Cl2N2O
SMILES
C1=C(N=C(N=C1Cl)Cl)C=O
InChI
InChI=1S/C5H2Cl2N2O/c6-4-1-3(2-10)8-5(7)9-4/h1-2H
InChIKey
IZJDEVPDYGNMDR-UHFFFAOYSA-N
Compound name
2,6-dichloropyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

175.95442 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.96170 126.3
[M+Na]+ 198.94364 138.4
[M-H]- 174.94714 127.1
[M+NH4]+ 193.98824 145.4
[M+K]+ 214.91758 134.0
[M+H-H2O]+ 158.95168 120.9
[M+HCOO]- 220.95262 140.0
[M+CH3COO]- 234.96827 176.8
[M+Na-2H]- 196.92909 134.1
[M]+ 175.95387 129.8
[M]- 175.95497 129.8
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