CID 70701064

Methyl 2-(5-fluoropyrimidin-2-yl)acetate

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
COC(=O)CC1=NC=C(C=N1)F
InChI
InChI=1S/C7H7FN2O2/c1-12-7(11)2-6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChIKey
JODHCGJCZNBUGB-UHFFFAOYSA-N
Compound name
methyl 2-(5-fluoropyrimidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04915 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 133.5
[M+Na]+ 193.03837 145.4
[M+NH4]+ 188.08297 139.9
[M+K]+ 209.01231 140.3
[M-H]- 169.04187 132.2
[M+Na-2H]- 191.02382 139.3
[M]+ 170.04860 134.5
[M]- 170.04970 134.5
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.