CID 130786952

Ethyl 2-fluoropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
CCOC(=O)C1=CN=C(N=C1)F
InChI
InChI=1S/C7H7FN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3
InChIKey
XLPNZXCMPWYMSZ-UHFFFAOYSA-N
Compound name
ethyl 2-fluoropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.04915 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 131.2
[M+Na]+ 193.03837 140.6
[M-H]- 169.04187 131.2
[M+NH4]+ 188.08297 149.1
[M+K]+ 209.01231 139.4
[M+H-H2O]+ 153.04641 123.2
[M+HCOO]- 215.04735 152.5
[M+CH3COO]- 229.06300 177.8
[M+Na-2H]- 191.02382 138.1
[M]+ 170.04860 132.2
[M]- 170.04970 132.2
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

patents stripe