CID 123728404

1393477-39-8

Structural Information

Molecular Formula

C₉H₁₀BFO₂

SMILES

B1(C2=C(C=CC(=C2)F)C(O1)(C)C)O

InChI

InChI=1S/C9H10BFO2/c1-9(2)7-4-3-6(11)5-8(7)10(12)13-9/h3-5,12H,1-2H3

InChIKey

OCMHEJQNUSELNA-UHFFFAOYSA-N

Compound name

6-fluoro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 180.07579 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]+	181.08307	131.9
[M+Na]+	203.06501	142.9
[M-H]-	179.06851	135.6
[M+NH4]+	198.10961	155.8
[M+K]+	219.03895	141.1
[M+H-H2O]+	163.07305	127.5
[M+HCOO]-	225.07399	152.5
[M+CH3COO]-	239.08964	178.5
[M+Na-2H]-	201.05046	138.7
[M]+	180.07524	132.4
[M]-	180.07634	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe