CID 136574209

7-bromo-1,3-dioxaindan-5-amine

Structural Information

Molecular Formula

C₇H₆BrNO₂

SMILES

C1OC2=C(O1)C(=CC(=C2)N)Br

InChI

InChI=1S/C7H6BrNO2/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-2H,3,9H2

InChIKey

GQPBQVSWORUNAS-UHFFFAOYSA-N

Compound name

7-bromo-1,3-benzodioxol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.95819 Da
Monoisotopic Mass: 1.7
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]+	215.965466	138.9
[M+Na]+	237.947408	151.4
[M-H]-	213.950914	147.2
[M+NH4]+	232.992013	161.0
[M+K]+	253.921348	143.0
[M+H-H2O]+	197.955450	139.5
[M+HCOO]-	259.956391	159.6
[M+CH3COO]-	273.972041	155.0
[M+Na-2H]-	235.932856	147.8
[M]+	214.95764142	157.7
[M]-	214.95873858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe