CID 16218039

871126-19-1

Structural Information

Molecular Formula

C₁₀H₁₁BF₄O₃

SMILES

B(C1=C(C(=C(C(=C1F)F)OCCCC)F)F)(O)O

InChI

InChI=1S/C10H11BF4O3/c1-2-3-4-18-10-8(14)6(12)5(11(16)17)7(13)9(10)15/h16-17H,2-4H2,1H3

InChIKey

DXYUAQQPCWNJQX-UHFFFAOYSA-N

Compound name

(4-butoxy-2,3,5,6-tetrafluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 266.07373 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]+	267.08101	163.6
[M+Na]+	289.06295	171.0
[M+NH4]+	284.10755	166.8
[M+K]+	305.03689	166.6
[M-H]-	265.06645	158.3
[M+Na-2H]-	287.04840	163.8
[M]+	266.07318	162.7
[M]-	266.07428	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe