CID 10901594

70557-99-2

Structural Information

Molecular Formula

C₇H₁₄BIO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)CI

InChI

InChI=1S/C7H14BIO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3

InChIKey

UBNNPAYFVZFWPE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 268.01315 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]+	269.02043	137.9
[M+Na]+	291.00237	140.2
[M-H]-	267.00587	136.4
[M+NH4]+	286.04697	157.3
[M+K]+	306.97631	147.6
[M+H-H2O]+	251.01041	131.9
[M+HCOO]-	313.01135	154.1
[M+CH3COO]-	327.02700	185.9
[M+Na-2H]-	288.98782	133.5
[M]+	268.01260	138.3
[M]-	268.01370	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe