CID 75481508

2-amino-4-bromo-6-tert-butylphenol

Structural Information

Molecular Formula

C₁₀H₁₄BrNO

SMILES

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

InChI

InChI=1S/C10H14BrNO/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,12H2,1-3H3

InChIKey

FWTKQUPMASQSCY-UHFFFAOYSA-N

Compound name

2-amino-4-bromo-6-tert-butylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 243.02588 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]+	244.033156	148.2
[M+Na]+	266.015098	160.0
[M-H]-	242.018604	153.3
[M+NH4]+	261.059703	168.9
[M+K]+	281.989038	148.0
[M+H-H2O]+	226.023140	148.4
[M+HCOO]-	288.024081	167.3
[M+CH3COO]-	302.039731	191.1
[M+Na-2H]-	264.000546	153.8
[M]+	243.02533142	165.2
[M]-	243.02642858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe