CID 10513294

2-(3-bromophenyl)-2-methylpropanenitrile

Structural Information

Molecular Formula

C₁₀H₁₀BrN

SMILES

CC(C)(C#N)C1=CC(=CC=C1)Br

InChI

InChI=1S/C10H10BrN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,1-2H3

InChIKey

NKECRCMIFURWMK-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 222.99966 Da
Monoisotopic Mass: 3.2
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]+	224.00694	142.0
[M+Na]+	245.98888	146.2
[M+NH4]+	241.03348	144.7
[M+K]+	261.96282	142.6
[M-H]-	221.99238	136.7
[M+Na-2H]-	243.97433	144.3
[M]+	222.99911	139.5
[M]-	223.00021	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe