CID 11265111

845301-90-8

Structural Information

Molecular Formula

C₁₃H₉BClFO

SMILES

B1(C2=C(CO1)C=C(C=C2)F)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H9BClFO/c15-11-3-1-2-10(7-11)14-13-5-4-12(16)6-9(13)8-17-14/h1-7H,8H2

InChIKey

MXOJVXNNESHMSK-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-5-fluoro-3H-2,1-benzoxaborole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 53
Patents: 246.0419 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.04918	149.7
[M+Na]+	269.03112	160.7
[M-H]-	245.03462	157.1
[M+NH4]+	264.07572	169.8
[M+K]+	285.00506	155.7
[M+H-H2O]+	229.03916	143.3
[M+HCOO]-	291.04010	167.0
[M+CH3COO]-	305.05575	163.5
[M+Na-2H]-	267.01657	154.7
[M]+	246.04135	151.3
[M]-	246.04245	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe