CID 53432585

Tert-butyl 4-amino-2-chlorobenzoate

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

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

InChI

InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,13H2,1-3H3

InChIKey

LLOXEUOQRNPJJK-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-2-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 227.0713 Da
Monoisotopic Mass: 3.1
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]+	228.07858	149.1
[M+Na]+	250.06052	161.1
[M+NH4]+	245.10512	156.9
[M+K]+	266.03446	155.7
[M-H]-	226.06402	150.5
[M+Na-2H]-	248.04597	154.7
[M]+	227.07075	151.5
[M]-	227.07185	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe