CID 45080534

669-80-7

Structural Information

Molecular Formula
C4H3F2N3
SMILES
C1=NC(=C(C(=N1)F)N)F
InChI
InChI=1S/C4H3F2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2
InChIKey
BIFILAXFJYHXHE-UHFFFAOYSA-N
Compound name
4,6-difluoropyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.02951 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.03679 119.4
[M+Na]+ 154.01873 130.2
[M-H]- 130.02223 118.1
[M+NH4]+ 149.06333 138.6
[M+K]+ 169.99267 127.8
[M+H-H2O]+ 114.02677 111.1
[M+HCOO]- 176.02771 141.3
[M+CH3COO]- 190.04336 173.4
[M+Na-2H]- 152.00418 127.1
[M]+ 131.02896 115.3
[M]- 131.03006 115.3
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

No patent data available for this compound.