CID 11821064

Ddu.alpha.bcf2tp

Structural Information

Molecular Formula
C10H14BF2N2O11P3
SMILES
[B-][P@](=O)(OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C10H14BF2N2O11P3/c11-29(23,26-28(21,22)10(12,13)27(18,19)20)24-5-6-1-2-8(25-6)15-4-3-7(16)14-9(15)17/h3-4,6,8H,1-2,5H2,(H,21,22)(H,14,16,17)(H2,18,19,20)/q-1/t6-,8+,29-/m0/s1
InChIKey
GBDIUWSMWPLWCM-LZBIVTRRSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.98715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.99443 194.1
[M+Na]+ 502.97637 190.1
[M-H]- 478.97987 188.7
[M+NH4]+ 498.02097 189.2
[M+K]+ 518.95031 198.3
[M+H-H2O]+ 462.98441 182.0
[M+HCOO]- 524.98535 213.4
[M+CH3COO]- 539.00100 218.5
[M+Na-2H]- 500.96182 199.7
[M]+ 479.98660 180.1
[M]- 479.98770 180.1
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.