CID 71711135

9,9-di(p-tolyl)fluorene-2-boronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C27H23BO2
SMILES
B(C1=CC2=C(C=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)(O)O
InChI
InChI=1S/C27H23BO2/c1-18-7-11-20(12-8-18)27(21-13-9-19(2)10-14-21)25-6-4-3-5-23(25)24-16-15-22(28(29)30)17-26(24)27/h3-17,29-30H,1-2H3
InChIKey
USGCGOMFCOSGCZ-UHFFFAOYSA-N
Compound name
[9,9-bis(4-methylphenyl)fluoren-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

390.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18638 197.2
[M+Na]+ 413.16832 205.7
[M-H]- 389.17182 206.8
[M+NH4]+ 408.21292 212.8
[M+K]+ 429.14226 197.7
[M+H-H2O]+ 373.17636 188.1
[M+HCOO]- 435.17730 214.4
[M+CH3COO]- 449.19295 207.0
[M+Na-2H]- 411.15377 198.4
[M]+ 390.17855 197.3
[M]- 390.17965 197.3
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