CID 66000229

4-chloro-5-fluoro-6-methyl-2-(oxolan-3-yl)pyrimidine

Structural Information

Molecular Formula
C9H10ClFN2O
SMILES
CC1=C(C(=NC(=N1)C2CCOC2)Cl)F
InChI
InChI=1S/C9H10ClFN2O/c1-5-7(11)8(10)13-9(12-5)6-2-3-14-4-6/h6H,2-4H2,1H3
InChIKey
FYJOMAFBHSLRBM-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoro-6-methyl-2-(oxolan-3-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04657 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05385 143.1
[M+Na]+ 239.03579 153.4
[M-H]- 215.03929 146.6
[M+NH4]+ 234.08039 160.6
[M+K]+ 255.00973 150.2
[M+H-H2O]+ 199.04383 135.1
[M+HCOO]- 261.04477 157.8
[M+CH3COO]- 275.06042 156.1
[M+Na-2H]- 237.02124 146.5
[M]+ 216.04602 143.3
[M]- 216.04712 143.3
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.