CID 62405850

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

Structural Information

Molecular Formula
C8H10ClFN2
SMILES
CC1=C(C(=NC(=N1)C(C)C)Cl)F
InChI
InChI=1S/C8H10ClFN2/c1-4(2)8-11-5(3)6(10)7(9)12-8/h4H,1-3H3
InChIKey
JSJQXXGAUFDKLX-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoro-6-methyl-2-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05165 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05893 134.5
[M+Na]+ 211.04087 145.8
[M-H]- 187.04437 134.7
[M+NH4]+ 206.08547 153.2
[M+K]+ 227.01481 142.0
[M+H-H2O]+ 171.04891 127.7
[M+HCOO]- 233.04985 150.1
[M+CH3COO]- 247.06550 184.5
[M+Na-2H]- 209.02632 139.1
[M]+ 188.05110 136.3
[M]- 188.05220 136.3
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.