CID 11821065

Dda.alpha.bcf2tp

Structural Information

Molecular Formula
C11H15BF2N5O9P3
SMILES
[B-][P@](=O)(OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C11H15BF2N5O9P3/c12-31(25,28-30(23,24)11(13,14)29(20,21)22)26-3-6-1-2-7(27-6)19-5-18-8-9(15)16-4-17-10(8)19/h4-7H,1-3H2,(H,23,24)(H2,15,16,17)(H2,20,21,22)/q-1/t6-,7+,31-/m0/s1
InChIKey
ZLTIPBOVAGQVBT-RPEVOKEESA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

503.01437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.02165 203.0
[M+Na]+ 526.00359 203.8
[M-H]- 502.00709 196.5
[M+NH4]+ 521.04819 204.2
[M+K]+ 541.97753 207.0
[M+H-H2O]+ 486.01163 190.2
[M+HCOO]- 548.01257 223.5
[M+CH3COO]- 562.02822 228.4
[M+Na-2H]- 523.98904 208.0
[M]+ 503.01382 199.0
[M]- 503.01492 199.0
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.