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]+ 147.01198 121.4
[M+Na]+ 168.99392 132.2
[M-H]- 144.99742 121.1
[M+NH4]+ 164.03852 141.1
[M+K]+ 184.96786 128.8
[M+H-H2O]+ 129.00196 114.4
[M+HCOO]- 191.00290 138.9
[M+CH3COO]- 205.01855 172.4
[M+Na-2H]- 166.97937 130.2
[M]+ 146.00415 121.9
[M]- 146.00525 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