CID 155973388

Ethyl 2,4-difluoropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C7H6F2N2O2
SMILES
CCOC(=O)C1=CN=C(N=C1F)F
InChI
InChI=1S/C7H6F2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3
InChIKey
UFMHKLQQOYXBKW-UHFFFAOYSA-N
Compound name
ethyl 2,4-difluoropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04701 133.4
[M+Na]+ 211.02895 143.8
[M-H]- 187.03245 132.4
[M+NH4]+ 206.07355 150.8
[M+K]+ 227.00289 142.1
[M+H-H2O]+ 171.03699 124.7
[M+HCOO]- 233.03793 153.6
[M+CH3COO]- 247.05358 181.7
[M+Na-2H]- 209.01440 139.0
[M]+ 188.03918 133.6
[M]- 188.04028 133.6
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.