CID 17906172

819058-34-9

Structural Information

Molecular Formula

C₁₂H₁₇BFNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)F

InChI

InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7H,15H2,1-4H3

InChIKey

AIXGNRNTXUKZLC-UHFFFAOYSA-N

Compound name

2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 521
Patents: 237.13364 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]+	238.14092	151.0
[M+Na]+	260.12286	162.3
[M+NH4]+	255.16746	161.4
[M+K]+	276.09680	155.5
[M-H]-	236.12636	156.0
[M+Na-2H]-	258.10831	158.2
[M]+	237.13309	154.3
[M]-	237.13419	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe