CID 118850841

4,6-difluoro-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5HF5N2
SMILES
C1=C(N=C(N=C1F)C(F)(F)F)F
InChI
InChI=1S/C5HF5N2/c6-2-1-3(7)12-4(11-2)5(8,9)10/h1H
InChIKey
IIJMBMDQGSQJKT-UHFFFAOYSA-N
Compound name
4,6-difluoro-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.00598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01326 128.1
[M+Na]+ 206.99520 139.8
[M-H]- 182.99870 123.4
[M+NH4]+ 202.03980 145.6
[M+K]+ 222.96914 136.8
[M+H-H2O]+ 167.00324 117.5
[M+HCOO]- 229.00418 144.2
[M+CH3COO]- 243.01983 180.8
[M+Na-2H]- 204.98065 134.6
[M]+ 184.00543 121.6
[M]- 184.00653 121.6
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.