CID 11845936

905710-49-8

Structural Information

Molecular Formula

C₁₁H₈BFOS

SMILES

B1(C2=C(CO1)C=C(C=C2)F)C3=CSC=C3

InChI

InChI=1S/C11H8BFOS/c13-10-1-2-11-8(5-10)6-14-12(11)9-3-4-15-7-9/h1-5,7H,6H2

InChIKey

OQJROQXWZUPXKR-UHFFFAOYSA-N

Compound name

5-fluoro-1-thiophen-3-yl-3H-2,1-benzoxaborole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 218.0373 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]+	219.04458	141.8
[M+Na]+	241.02652	152.9
[M-H]-	217.03002	150.2
[M+NH4]+	236.07112	164.9
[M+K]+	257.00046	150.3
[M+H-H2O]+	201.03456	137.0
[M+HCOO]-	263.03550	160.9
[M+CH3COO]-	277.05115	156.7
[M+Na-2H]-	239.01197	143.9
[M]+	218.03675	144.0
[M]-	218.03785	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe