CID 255608

5-fluoropyrimidine-2,4-diamine

Structural Information

Molecular Formula
C4H5FN4
SMILES
C1=C(C(=NC(=N1)N)N)F
InChI
InChI=1S/C4H5FN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChIKey
RMTFEZUZAHJEFW-UHFFFAOYSA-N
Compound name
5-fluoropyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

128.04982 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05710 121.5
[M+Na]+ 151.03904 131.4
[M-H]- 127.04254 121.2
[M+NH4]+ 146.08364 140.3
[M+K]+ 167.01298 129.1
[M+H-H2O]+ 111.04708 113.8
[M+HCOO]- 173.04802 144.9
[M+CH3COO]- 187.06367 175.0
[M+Na-2H]- 149.02449 129.0
[M]+ 128.04927 116.8
[M]- 128.05037 116.8
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