CID 66587508

1058062-64-8

Structural Information

Molecular Formula

C₁₃H₁₇BF₃NO₂

SMILES

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

InChI

InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)9-7-8(13(15,16)17)5-6-10(9)18/h5-7H,18H2,1-4H3

InChIKey

GFSAGCJSHFVPJZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 287.13043 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]+	288.13771	158.1
[M+Na]+	310.11965	168.3
[M-H]-	286.12315	162.8
[M+NH4]+	305.16425	177.3
[M+K]+	326.09359	167.3
[M+H-H2O]+	270.12769	151.8
[M+HCOO]-	332.12863	174.7
[M+CH3COO]-	346.14428	202.4
[M+Na-2H]-	308.10510	162.4
[M]+	287.12988	155.9
[M]-	287.13098	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe