CID 22929786

4-bromo-2-tert-butyl-6-nitrophenol

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₃

SMILES

CC(C)(C)C1=C(C(=CC(=C1)Br)[N+](=O)[O-])O

InChI

InChI=1S/C10H12BrNO3/c1-10(2,3)7-4-6(11)5-8(9(7)13)12(14)15/h4-5,13H,1-3H3

InChIKey

IGYZKUXNIXAGHE-UHFFFAOYSA-N

Compound name

4-bromo-2-tert-butyl-6-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 273.00006 Da
Monoisotopic Mass: 4.3
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]+	274.00734	153.5
[M+Na]+	295.98928	156.8
[M+NH4]+	291.03388	157.4
[M+K]+	311.96322	160.0
[M-H]-	271.99278	154.1
[M+Na-2H]-	293.97473	155.4
[M]+	272.99951	152.9
[M]-	273.00061	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe