CID 165913959

4-chloro-6-fluoro-2-methylpyrimidine

Structural Information

Molecular Formula
C5H4ClFN2
SMILES
CC1=NC(=CC(=N1)Cl)F
InChI
InChI=1S/C5H4ClFN2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
InChIKey
OKDHCBRGRWHJBY-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0047 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.011976 121.2
[M+Na]+ 168.993918 133.0
[M-H]- 144.997424 121.3
[M+NH4]+ 164.038523 141.3
[M+K]+ 184.967858 129.6
[M+H-H2O]+ 129.001960 114.5
[M+HCOO]- 191.002901 138.7
[M+CH3COO]- 205.018551 173.5
[M+Na-2H]- 166.979366 129.3
[M]+ 146.00415142 122.1
[M]- 146.00524858 122.1
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.