CID 72208291

1374658-83-9

Structural Information

Molecular Formula

C₉H₁₅BrFNO₂

SMILES

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

InChI

InChI=1S/C9H15BrFNO2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h4-6H2,1-3H3

InChIKey

XBEPSYXHSSWJFY-UHFFFAOYSA-N

Compound name

tert-butyl 3-(bromomethyl)-3-fluoroazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 267.027 Da
Monoisotopic Mass: 1.9
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]+	268.03428	146.5
[M+Na]+	290.01622	156.4
[M-H]-	266.01972	150.4
[M+NH4]+	285.06082	161.7
[M+K]+	305.99016	149.8
[M+H-H2O]+	250.02426	142.7
[M+HCOO]-	312.02520	161.7
[M+CH3COO]-	326.04085	195.2
[M+Na-2H]-	288.00167	152.6
[M]+	267.02645	172.9
[M]-	267.02755	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe