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]+ 171.056426 131.2
[M+Na]+ 193.038368 140.6
[M-H]- 169.041874 131.2
[M+NH4]+ 188.082973 149.1
[M+K]+ 209.012308 139.4
[M+H-H2O]+ 153.046410 123.2
[M+HCOO]- 215.047351 152.5
[M+CH3COO]- 229.063001 177.8
[M+Na-2H]- 191.023816 138.1
[M]+ 170.04860142 132.2
[M]- 170.04969858 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

No patent data available for this compound.