CID 11821068

3tc.alpha.bcf2tp

Structural Information

Molecular Formula
C9H13BF2N3O10P3S
SMILES
[B-][P@](=O)(OC[C@@H]1O[C@@H](CS1)N2C=CC(=NC2=O)N)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C9H13BF2N3O10P3S/c10-28(22,25-27(20,21)9(11,12)26(17,18)19)23-3-7-24-6(4-29-7)15-2-1-5(13)14-8(15)16/h1-2,6-7H,3-4H2,(H,20,21)(H2,13,14,16)(H2,17,18,19)/q-1/t6-,7+,28-/m0/s1
InChIKey
QSMCWVVBHAOXCU-PSIVDLEWSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

496.95956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.96684 191.0
[M+Na]+ 519.94878 191.8
[M-H]- 495.95228 184.7
[M+NH4]+ 514.99338 193.5
[M+K]+ 535.92272 193.8
[M+H-H2O]+ 479.95682 178.2
[M+HCOO]- 541.95776 216.8
[M+CH3COO]- 555.97341 224.4
[M+Na-2H]- 517.93423 195.9
[M]+ 496.95901 187.8
[M]- 496.96011 187.8
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

No patent data available for this compound.