CID 69461876

882679-08-5

Structural Information

Molecular Formula

C₁₃H₁₇BF₃NO₂

SMILES

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

InChI

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

InChIKey

LNZUBJRCRHXSIF-UHFFFAOYSA-N

Compound name

3-(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: 16
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]+	288.137706	158.1
[M+Na]+	310.119648	168.3
[M-H]-	286.123154	162.8
[M+NH4]+	305.164253	177.3
[M+K]+	326.093588	167.3
[M+H-H2O]+	270.127690	151.8
[M+HCOO]-	332.128631	174.7
[M+CH3COO]-	346.144281	202.4
[M+Na-2H]-	308.105096	162.4
[M]+	287.12988142	155.9
[M]-	287.13097858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe