CID 10058989

Tert-butyl 4-amino-2-fluorobenzoate

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

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

InChI

InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,13H2,1-3H3

InChIKey

FCCRKNYAZJHMME-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-2-fluorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 211.10086 Da
Monoisotopic Mass: 2.2
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]+	212.10814	146.9
[M+Na]+	234.09008	157.2
[M+NH4]+	229.13468	153.6
[M+K]+	250.06402	152.6
[M-H]-	210.09358	146.7
[M+Na-2H]-	232.07553	151.6
[M]+	211.10031	148.1
[M]-	211.10141	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe