CID 18388272

3-amino-5-bromophenol

Structural Information

Molecular Formula

SMILES

C1=C(C=C(C=C1O)Br)N

InChI

InChI=1S/C6H6BrNO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H,8H2

InChIKey

MITPOGKUUPJAPC-UHFFFAOYSA-N

Compound name

3-amino-5-bromophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 186.96329 Da
Monoisotopic Mass: 1.6
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]+	187.97057	129.6
[M+Na]+	209.95251	132.9
[M+NH4]+	204.99711	134.9
[M+K]+	225.92645	133.3
[M-H]-	185.95601	130.6
[M+Na-2H]-	207.93796	133.5
[M]+	186.96274	129.1
[M]-	186.96384	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe