CID 102158909

Dtxsid601103603

Structural Information

Molecular Formula
C28H20B2F4N4O4
SMILES
[B-]1(O/N=C(\C(=N\O[B-](O/N=C(\C(=N\O1)\C2=CC=CC=C2)/C3=CC=CC=C3)(F)F)\C4=CC=CC=C4)/C5=CC=CC=C5)(F)F
InChI
InChI=1S/C28H20B2F4N4O4/c31-29(32)39-35-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)36-40-30(33,34)42-38-28(24-19-11-4-12-20-24)27(37-41-29)23-17-9-3-10-18-23/h1-20H/q-2/b35-25-,36-26+,37-27+,38-28-
InChIKey
FMSLPGKOEHEHGQ-XSZBGYHBSA-N
Compound name
(4Z,6E,11Z,13E)-2,2,9,9-tetrafluoro-5,6,12,13-tetraphenyl-1,3,8,10-tetraoxa-4,7,11,14-tetraza-2,9-diboranuidacyclotetradeca-4,6,11,13-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.1607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.16798 216.8
[M+Na]+ 597.14992 223.7
[M-H]- 573.15342 220.1
[M+NH4]+ 592.19452 207.9
[M+K]+ 613.12386 221.0
[M+H-H2O]+ 557.15796 203.9
[M+HCOO]- 619.15890 222.0
[M+CH3COO]- 633.17455 219.9
[M+Na-2H]- 595.13537 218.2
[M]+ 574.16015 206.4
[M]- 574.16125 206.4
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.