CID 90297524

9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9h-carbazole

Structural Information

Molecular Formula
C30H35B2NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC=C5)C=C(C=C4)B6OC(C(O6)(C)C)(C)C
InChI
InChI=1S/C30H35B2NO4/c1-27(2)28(3,4)35-31(34-27)20-14-16-23-24-17-15-21(32-36-29(5,6)30(7,8)37-32)19-26(24)33(25(23)18-20)22-12-10-9-11-13-22/h9-19H,1-8H3
InChIKey
BLKLIQJTGNDTOL-UHFFFAOYSA-N
Compound name
9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

495.2752 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.28248 209.0
[M+Na]+ 518.26442 221.8
[M-H]- 494.26792 226.5
[M+NH4]+ 513.30902 225.3
[M+K]+ 534.23836 220.6
[M+H-H2O]+ 478.27246 203.0
[M+HCOO]- 540.27340 223.1
[M+CH3COO]- 554.28905 220.7
[M+Na-2H]- 516.24987 207.3
[M]+ 495.27465 218.2
[M]- 495.27575 218.2
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