CID 54476341

5,6-difluoropyrimidin-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

131.02951 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.036786 119.4
[M+Na]+ 154.018728 130.2
[M-H]- 130.022234 118.1
[M+NH4]+ 149.063333 138.6
[M+K]+ 169.992668 127.8
[M+H-H2O]+ 114.026770 111.1
[M+HCOO]- 176.027711 141.3
[M+CH3COO]- 190.043361 173.4
[M+Na-2H]- 152.004176 127.1
[M]+ 131.02896142 115.3
[M]- 131.03005858 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

patents stripe