CID 85685630

2-(heptafluoropropyl)-9h-purin-6-amine

Structural Information

Molecular Formula
C8H4F7N5
SMILES
C1=NC2=NC(=NC(=C2N1)N)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F7N5/c9-6(10,7(11,12)8(13,14)15)5-19-3(16)2-4(20-5)18-1-17-2/h1H,(H3,16,17,18,19,20)
InChIKey
MCMWZMDUNMGXKJ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

303.0355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04278 158.6
[M+Na]+ 326.02472 170.8
[M-H]- 302.02822 149.1
[M+NH4]+ 321.06932 170.1
[M+K]+ 341.99866 164.7
[M+H-H2O]+ 286.03276 145.9
[M+HCOO]- 348.03370 166.7
[M+CH3COO]- 362.04935 201.0
[M+Na-2H]- 324.01017 164.8
[M]+ 303.03495 148.4
[M]- 303.03605 148.4
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