CID 11821062

D4t.alpha.bcf2tp

Structural Information

Molecular Formula
C11H14BF2N2O11P3
SMILES
[B-][P@](=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C11H14BF2N2O11P3/c1-6-4-16(10(18)15-9(6)17)8-3-2-7(26-8)5-25-30(12,24)27-29(22,23)11(13,14)28(19,20)21/h2-4,7-8H,5H2,1H3,(H,22,23)(H,15,17,18)(H2,19,20,21)/q-1/t7-,8+,30-/m0/s1
InChIKey
REANDRNKNPETKQ-QSPTVXAJSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.98715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.99443 198.7
[M+Na]+ 514.97637 192.5
[M-H]- 490.97987 191.2
[M+NH4]+ 510.02097 191.8
[M+K]+ 530.95031 203.8
[M+H-H2O]+ 474.98441 186.5
[M+HCOO]- 536.98535 215.3
[M+CH3COO]- 551.00100 222.3
[M+Na-2H]- 512.96182 203.9
[M]+ 491.98660 182.7
[M]- 491.98770 182.7
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.