CID 136605

2,4,5,6-tetrafluoropyrimidine

Structural Information

Molecular Formula
C4F4N2
SMILES
C1(=C(N=C(N=C1F)F)F)F
InChI
InChI=1S/C4F4N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKey
KZMWBUVUQLGBBP-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrafluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

151.99976 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.00704 119.2
[M+Na]+ 174.98898 131.8
[M-H]- 150.99248 116.1
[M+NH4]+ 170.03358 138.2
[M+K]+ 190.96292 129.1
[M+H-H2O]+ 134.99702 109.5
[M+HCOO]- 196.99796 138.4
[M+CH3COO]- 211.01361 176.3
[M+Na-2H]- 172.97443 125.7
[M]+ 151.99921 114.8
[M]- 152.00031 114.8
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