CID 137717

4,6-difluoropyrimidine

Structural Information

Molecular Formula
C4H2F2N2
SMILES
C1=C(N=CN=C1F)F
InChI
InChI=1S/C4H2F2N2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKey
MCLDVUCSDZGNRR-UHFFFAOYSA-N
Compound name
4,6-difluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

529
Patents

116.01861 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02589 114.3
[M+Na]+ 139.00783 125.0
[M-H]- 115.01133 113.2
[M+NH4]+ 134.05243 134.4
[M+K]+ 154.98177 123.3
[M+H-H2O]+ 99.015870 106.1
[M+HCOO]- 161.01681 135.8
[M+CH3COO]- 175.03246 168.3
[M+Na-2H]- 136.99328 123.6
[M]+ 116.01806 111.6
[M]- 116.01916 111.6
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