CID 51358450

9-phenyl-9h-carbazole-3-boronic acid

Structural Information

Molecular Formula
C18H14BNO2
SMILES
B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O
InChI
InChI=1S/C18H14BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12,21-22H
InChIKey
JWJQEUDGBZMPAX-UHFFFAOYSA-N
Compound name
(9-phenylcarbazol-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3818
Patents

287.11176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11904 163.6
[M+Na]+ 310.10098 173.1
[M-H]- 286.10448 169.2
[M+NH4]+ 305.14558 180.4
[M+K]+ 326.07492 166.6
[M+H-H2O]+ 270.10902 156.0
[M+HCOO]- 332.10996 183.1
[M+CH3COO]- 346.12561 175.4
[M+Na-2H]- 308.08643 169.3
[M]+ 287.11121 164.4
[M]- 287.11231 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe