CID 138106150

2-(3,3-difluorocyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula

C₁₀H₁₇BF₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2CC(C2)(F)F

InChI

InChI=1S/C10H17BF2O2/c1-8(2)9(3,4)15-11(14-8)7-5-10(12,13)6-7/h7H,5-6H2,1-4H3

InChIKey

HLEWVHJFQCEWNE-UHFFFAOYSA-N

Compound name

2-(3,3-difluorocyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.12897 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]+	219.136246	136.4
[M+Na]+	241.118188	144.7
[M-H]-	217.121694	142.8
[M+NH4]+	236.162793	154.2
[M+K]+	257.092128	148.0
[M+H-H2O]+	201.126230	129.5
[M+HCOO]-	263.127171	153.1
[M+CH3COO]-	277.142821	191.1
[M+Na-2H]-	239.103636	142.2
[M]+	218.12842142	144.7
[M]-	218.12951858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe