CID 12790

2-fluoroadenine

Structural Information

Molecular Formula
C5H4FN5
SMILES
C1=NC2=NC(=NC(=C2N1)N)F
InChI
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey
WKMPTBDYDNUJLF-UHFFFAOYSA-N
Compound name
2-fluoro-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

9946
Patents

153.04507 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.05235 125.9
[M+Na]+ 176.03429 138.4
[M-H]- 152.03779 123.4
[M+NH4]+ 171.07889 143.8
[M+K]+ 192.00823 134.1
[M+H-H2O]+ 136.04233 117.3
[M+HCOO]- 198.04327 146.5
[M+CH3COO]- 212.05892 139.2
[M+Na-2H]- 174.01974 134.7
[M]+ 153.04452 123.8
[M]- 153.04562 123.8
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