CID 2736444

Tert-butyl 4-fluorobenzoate

Structural Information

Molecular Formula

C₁₁H₁₃FO₂

SMILES

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

InChI

InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3

InChIKey

ZZLARVGXLOCKHG-UHFFFAOYSA-N

Compound name

tert-butyl 4-fluorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 416
Patents: 196.08995 Da
Monoisotopic Mass: 2.9
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]+	197.09723	143.5
[M+Na]+	219.07917	155.0
[M+NH4]+	214.12377	150.9
[M+K]+	235.05311	149.6
[M-H]-	195.08267	143.3
[M+Na-2H]-	217.06462	149.2
[M]+	196.08940	145.0
[M]-	196.09050	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe