CID 508337

Gs 8367

Structural Information

Molecular Formula
C10H14F3N6O4P
SMILES
C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)O)N)NCC(F)(F)F
InChI
InChI=1S/C10H14F3N6O4P/c11-10(12,13)3-15-7-6-8(18-9(14)17-7)19(4-16-6)1-2-23-5-24(20,21)22/h4H,1-3,5H2,(H2,20,21,22)(H3,14,15,17,18)
InChIKey
VFOXDAHCGDXOMK-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(2,2,2-trifluoroethylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

370.07663 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08391 178.9
[M+Na]+ 393.06585 187.1
[M-H]- 369.06935 171.5
[M+NH4]+ 388.11045 187.0
[M+K]+ 409.03979 183.7
[M+H-H2O]+ 353.07389 166.1
[M+HCOO]- 415.07483 197.4
[M+CH3COO]- 429.09048 214.1
[M+Na-2H]- 391.05130 182.4
[M]+ 370.07608 177.9
[M]- 370.07718 177.9
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