CID 69679

5-chloro-2,4,6-trifluoropyrimidine

Structural Information

Molecular Formula
C4ClF3N2
SMILES
C1(=C(N=C(N=C1F)F)F)Cl
InChI
InChI=1S/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKey
GOYNRDSJTYLXBU-UHFFFAOYSA-N
Compound name
5-chloro-2,4,6-trifluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1089
Patents

167.97021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.97749 120.5
[M+Na]+ 190.95943 133.7
[M-H]- 166.96293 118.4
[M+NH4]+ 186.00403 139.8
[M+K]+ 206.93337 129.6
[M+H-H2O]+ 150.96747 112.3
[M+HCOO]- 212.96841 136.2
[M+CH3COO]- 226.98406 177.2
[M+Na-2H]- 188.94488 127.3
[M]+ 167.96966 119.1
[M]- 167.97076 119.1
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