CID 6338299

Rp/sp-.gamma.-bis(pom)-.alpha.-borano-.beta.,.gamma.-cf2-azt-tp

Structural Information

Molecular Formula
C23H35BF2N5O15P3
SMILES
[B]P(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O
InChI
InChI=1S/C23H35BF2N5O15P3/c1-13-9-31(20(35)28-17(13)32)16-8-14(29-30-27)15(45-16)10-42-49(24,39)46-47(36,37)23(25,26)48(38,43-11-40-18(33)21(2,3)4)44-12-41-19(34)22(5,6)7/h9,14-16H,8,10-12H2,1-7H3,(H,36,37)(H,28,32,35)/t14-,15+,16+,49?/m0/s1
InChIKey
MBXLJNZRPMWZLS-QYBVBRNISA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

763.1404 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.14768 229.9
[M+Na]+ 786.12962 236.3
[M-H]- 762.13312 233.7
[M+NH4]+ 781.17422 286.4
[M+K]+ 802.10356 225.0
[M+H-H2O]+ 746.13766 217.0
[M+HCOO]- 808.13860 290.9
[M+CH3COO]- 822.15425 276.7
[M+Na-2H]- 784.11507 249.5
[M]+ 763.13985 240.9
[M]- 763.14095 240.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.