CID 59757605

1005771-03-8

Structural Information

Molecular Formula
C27H29BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C4(C)C
InChI
InChI=1S/C27H29BO2/c1-25(2)23-13-8-7-12-21(23)22-15-14-19(17-24(22)25)18-10-9-11-20(16-18)28-29-26(3,4)27(5,6)30-28/h7-17H,1-6H3
InChIKey
YCPMOYROGGGGDR-UHFFFAOYSA-N
Compound name
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

396.22607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.23335 194.6
[M+Na]+ 419.21529 206.3
[M-H]- 395.21879 208.7
[M+NH4]+ 414.25989 215.4
[M+K]+ 435.18923 201.8
[M+H-H2O]+ 379.22333 187.3
[M+HCOO]- 441.22427 212.3
[M+CH3COO]- 455.23992 206.9
[M+Na-2H]- 417.20074 195.7
[M]+ 396.22552 199.6
[M]- 396.22662 199.6
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

patents stripe