CID 80550148

Methyl 4,6-dichloro-5-fluoropyrimidine-2-carboxylate

Structural Information

Molecular Formula
C6H3Cl2FN2O2
SMILES
COC(=O)C1=NC(=C(C(=N1)Cl)F)Cl
InChI
InChI=1S/C6H3Cl2FN2O2/c1-13-6(12)5-10-3(7)2(9)4(8)11-5/h1H3
InChIKey
BVDDAIMYERQXGF-UHFFFAOYSA-N
Compound name
methyl 4,6-dichloro-5-fluoropyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.95557 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96285 134.1
[M+Na]+ 246.94479 146.6
[M-H]- 222.94829 134.1
[M+NH4]+ 241.98939 151.6
[M+K]+ 262.91873 142.5
[M+H-H2O]+ 206.95283 128.0
[M+HCOO]- 268.95377 145.9
[M+CH3COO]- 282.96942 185.7
[M+Na-2H]- 244.93024 139.2
[M]+ 223.95502 138.2
[M]- 223.95612 138.2
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.