CID 9971389

4-bromo-4'-(tert-butyl)biphenyl

Structural Information

Molecular Formula

C₁₆H₁₇Br

SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17Br/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11H,1-3H3

InChIKey

QYNWFBYWVPMMRL-UHFFFAOYSA-N

Compound name

1-bromo-4-(4-tert-butylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 288.05136 Da
Monoisotopic Mass: 6.7
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]+	289.05864	160.9
[M+Na]+	311.04058	172.0
[M-H]-	287.04408	170.3
[M+NH4]+	306.08518	180.7
[M+K]+	327.01452	160.0
[M+H-H2O]+	271.04862	160.7
[M+HCOO]-	333.04956	180.6
[M+CH3COO]-	347.06521	199.4
[M+Na-2H]-	309.02603	167.8
[M]+	288.05081	179.6
[M]-	288.05191	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe