CID 72206657

2-(chloromethyl)-5-fluoropyrimidine

Structural Information

Molecular Formula
C5H4ClFN2
SMILES
C1=C(C=NC(=N1)CCl)F
InChI
InChI=1S/C5H4ClFN2/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H2
InChIKey
JTZQALAWTLCKRX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

146.0047 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.011976 121.4
[M+Na]+ 168.993918 132.2
[M-H]- 144.997424 121.1
[M+NH4]+ 164.038523 141.1
[M+K]+ 184.967858 128.8
[M+H-H2O]+ 129.001960 114.4
[M+HCOO]- 191.002901 138.9
[M+CH3COO]- 205.018551 172.4
[M+Na-2H]- 166.979366 130.2
[M]+ 146.00415142 121.9
[M]- 146.00524858 121.9
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

patents stripe