CID 53483532

1314538-55-0

Structural Information

Molecular Formula

C₆H₁₂BF₃NO₂

SMILES

[B-](CNC(=O)OC(C)(C)C)(F)(F)F

InChI

InChI=1S/C6H12BF3NO2/c1-6(2,3)13-5(12)11-4-7(8,9)10/h4H2,1-3H3,(H,11,12)/q-1

InChIKey

ZIBVRQWEKONZCW-UHFFFAOYSA-N

Compound name

trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.09132 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]+	199.09860	137.8
[M+Na]+	221.08054	144.8
[M-H]-	197.08404	132.8
[M+NH4]+	216.12514	156.5
[M+K]+	237.05448	144.6
[M+H-H2O]+	181.08858	133.6
[M+HCOO]-	243.08952	155.3
[M+CH3COO]-	257.10517	182.1
[M+Na-2H]-	219.06599	142.6
[M]+	198.09077	132.8
[M]-	198.09187	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe