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]+ 189.047006 133.4
[M+Na]+ 211.028948 143.8
[M-H]- 187.032454 132.4
[M+NH4]+ 206.073553 150.8
[M+K]+ 227.002888 142.1
[M+H-H2O]+ 171.036990 124.7
[M+HCOO]- 233.037931 153.6
[M+CH3COO]- 247.053581 181.7
[M+Na-2H]- 209.014396 139.0
[M]+ 188.03918142 133.6
[M]- 188.04027858 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.