CID 4447507

62938-08-3

Structural Information

Molecular Formula

C₁₅H₂₃Br

SMILES

CC(C)(C)C1=CC(=CC(=C1)CBr)C(C)(C)C

InChI

InChI=1S/C15H23Br/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9H,10H2,1-6H3

InChIKey

SNRYBGHMHAJTTM-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3,5-ditert-butylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 248
Patents: 282.0983 Da
Monoisotopic Mass: 5.8
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]+	283.10558	160.4
[M+Na]+	305.08752	163.8
[M+NH4]+	300.13212	165.4
[M+K]+	321.06146	163.1
[M-H]-	281.09102	160.9
[M+Na-2H]-	303.07297	163.6
[M]+	282.09775	160.1
[M]-	282.09885	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe