CID 146567170

Schembl21957323

Structural Information

Molecular Formula

C₁₁H₁₁BrCl₂O₂

SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1Cl)Br)Cl

InChI

InChI=1S/C11H11BrCl2O2/c1-11(2,3)16-10(15)9-7(13)4-6(12)5-8(9)14/h4-5H,1-3H3

InChIKey

FFTPQAIMRJXGFV-UHFFFAOYSA-N

Compound name

tert-butyl 4-bromo-2,6-dichlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 323.93195 Da
Monoisotopic Mass: 4.7
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]+	324.93923	159.3
[M+Na]+	346.92117	164.2
[M+NH4]+	341.96577	164.0
[M+K]+	362.89511	163.5
[M-H]-	322.92467	159.1
[M+Na-2H]-	344.90662	162.1
[M]+	323.93140	159.4
[M]-	323.93250	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe