CID 58058035

4,5,6-trifluoro-2-methylpyrimidine

Structural Information

Molecular Formula
C5H3F3N2
SMILES
CC1=NC(=C(C(=N1)F)F)F
InChI
InChI=1S/C5H3F3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3
InChIKey
ZQGNQDAYNFSDGF-UHFFFAOYSA-N
Compound name
4,5,6-trifluoro-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

148.02483 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03211 121.2
[M+Na]+ 171.01405 133.4
[M-H]- 147.01755 119.3
[M+NH4]+ 166.05865 140.6
[M+K]+ 186.98799 130.9
[M+H-H2O]+ 131.02209 112.4
[M+HCOO]- 193.02303 141.2
[M+CH3COO]- 207.03868 176.4
[M+Na-2H]- 168.99950 127.8
[M]+ 148.02428 118.4
[M]- 148.02538 118.4
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.