CID 179000829

2955711-53-0

Structural Information

Molecular Formula

C₁₀H₁₇BrFNO₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CF)CBr

InChI

InChI=1S/C10H17BrFNO2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7H2,1-3H3

InChIKey

MMMFADABSYBXDB-UHFFFAOYSA-N

Compound name

tert-butyl 3-(bromomethyl)-3-(fluoromethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.04266 Da
Monoisotopic Mass: 2.1
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]+	282.049936	151.2
[M+Na]+	304.031878	160.7
[M-H]-	280.035384	154.8
[M+NH4]+	299.076483	165.9
[M+K]+	320.005818	153.8
[M+H-H2O]+	264.039920	147.1
[M+HCOO]-	326.040861	166.0
[M+CH3COO]-	340.056511	197.9
[M+Na-2H]-	302.017326	156.8
[M]+	281.04211142	177.9
[M]-	281.04320858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.