CID 11821069

3'-f-dt.alpha.bcf2tp

Structural Information

Molecular Formula
C11H15BF3N2O11P3
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)F)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C11H15BF3N2O11P3/c1-5-3-17(10(19)16-9(5)18)8-2-6(13)7(27-8)4-26-31(12,25)28-30(23,24)11(14,15)29(20,21)22/h3,6-8H,2,4H2,1H3,(H,23,24)(H,16,18,19)(H2,20,21,22)/q-1/t6-,7+,8+,31-/m0/s1
InChIKey
RCHRMIJVZQEUMD-JULKVZFLSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

511.99338 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.00066 191.9
[M+Na]+ 534.98260 198.4
[M-H]- 510.98610 198.0
[M+NH4]+ 530.02720 198.4
[M+K]+ 550.95654 189.2
[M+H-H2O]+ 494.99064 189.0
[M+HCOO]- 556.99158 221.6
[M+CH3COO]- 571.00723 226.8
[M+Na-2H]- 532.96805 176.3
[M]+ 511.99283 188.1
[M]- 511.99393 188.1
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.