CID 6338300

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

Structural Information

Molecular Formula
C17H25BF2N5O13P3
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)(O)OCOC(=O)C(C)(C)C)O
InChI
InChI=1S/C17H25BF2N5O13P3/c1-9-6-25(15(28)22-13(9)26)12-5-10(23-24-21)11(37-12)7-35-41(18,33)38-40(31,32)17(19,20)39(29,30)36-8-34-14(27)16(2,3)4/h6,10-12H,5,7-8H2,1-4H3,(H,29,30)(H,31,32)(H,22,26,28)/t10-,11+,12+,41?/m0/s1
InChIKey
CLLZBJUZRMKJMF-RSZXGRSISA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.07227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.07955 235.8
[M+Na]+ 672.06149 247.4
[M-H]- 648.06499 254.9
[M+NH4]+ 667.10609 252.1
[M+K]+ 688.03543 236.1
[M+H-H2O]+ 632.06953 205.1
[M+HCOO]- 694.07047 265.7
[M+CH3COO]- 708.08612 256.7
[M+Na-2H]- 670.04694 234.1
[M]+ 649.07172 232.7
[M]- 649.07282 232.7
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.