CID 574155

4-chloro-5-fluoro-2-methylpyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

146.0047 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe