CID 11821063

Ftc.alpha.bcf2tp

Structural Information

Molecular Formula
C9H12BF3N3O10P3S
SMILES
[B-][P@](=O)(OC[C@@H]1O[C@@H](CS1)N2C=C(C(=NC2=O)N)F)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C9H12BF3N3O10P3S/c10-29(23,26-28(21,22)9(12,13)27(18,19)20)24-2-6-25-5(3-30-6)16-1-4(11)7(14)15-8(16)17/h1,5-6H,2-3H2,(H,21,22)(H2,14,15,17)(H2,18,19,20)/q-1/t5-,6+,29-/m0/s1
InChIKey
RETLQCGWMRJCAK-CUKRIWDCSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

514.95013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.95741 193.2
[M+Na]+ 537.93935 194.7
[M-H]- 513.94285 186.0
[M+NH4]+ 532.98395 197.2
[M+K]+ 553.91329 196.5
[M+H-H2O]+ 497.94739 179.8
[M+HCOO]- 559.94833 220.1
[M+CH3COO]- 573.96398 228.4
[M+Na-2H]- 535.92480 197.4
[M]+ 514.94958 189.3
[M]- 514.95068 189.3
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.