CID 23088535

Fluoranthen-3-ylboronic acid

Structural Information

Molecular Formula
C16H11BO2
SMILES
B(C1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43)(O)O
InChI
InChI=1S/C16H11BO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9,18-19H
InChIKey
LDPCTBXVSGTSNJ-UHFFFAOYSA-N
Compound name
fluoranthen-3-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

450
Patents

246.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09248 152.0
[M+Na]+ 269.07442 161.4
[M-H]- 245.07792 155.8
[M+NH4]+ 264.11902 173.4
[M+K]+ 285.04836 155.6
[M+H-H2O]+ 229.08246 146.4
[M+HCOO]- 291.08340 170.5
[M+CH3COO]- 305.09905 164.5
[M+Na-2H]- 267.05987 158.9
[M]+ 246.08465 153.3
[M]- 246.08575 153.3
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