CID 89666875

4,6-dichloro-2-(fluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H3Cl2FN2
SMILES
C1=C(N=C(N=C1Cl)CF)Cl
InChI
InChI=1S/C5H3Cl2FN2/c6-3-1-4(7)10-5(2-8)9-3/h1H,2H2
InChIKey
KLSBPDXPVBWTGA-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(fluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.96573 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.97301 126.1
[M+Na]+ 202.95495 138.0
[M-H]- 178.95845 125.4
[M+NH4]+ 197.99955 145.1
[M+K]+ 218.92889 133.3
[M+H-H2O]+ 162.96299 119.8
[M+HCOO]- 224.96393 138.3
[M+CH3COO]- 238.97958 178.4
[M+Na-2H]- 200.94040 133.4
[M]+ 179.96518 127.8
[M]- 179.96628 127.8
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