CID 20071885

2-fluoro-5-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H2F4N2
SMILES
C1=C(C=NC(=N1)F)C(F)(F)F
InChI
InChI=1S/C5H2F4N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H
InChIKey
QEWJTWUFYSMONN-UHFFFAOYSA-N
Compound name
2-fluoro-5-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

166.01541 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.022686 125.4
[M+Na]+ 189.004628 136.2
[M-H]- 165.008134 121.8
[M+NH4]+ 184.049233 143.5
[M+K]+ 204.978568 133.7
[M+H-H2O]+ 149.012670 115.6
[M+HCOO]- 211.013611 142.8
[M+CH3COO]- 225.029261 176.7
[M+Na-2H]- 186.990076 133.4
[M]+ 166.01486142 119.9
[M]- 166.01595858 119.9
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