CID 40236

2-amino-5,7-dibromobenzoxazole

Structural Information

Molecular Formula

C₇H₄Br₂N₂O

SMILES

C1=C(C=C(C2=C1N=C(O2)N)Br)Br

InChI

InChI=1S/C7H4Br2N2O/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)

InChIKey

FXYIDUGIODSYAI-UHFFFAOYSA-N

Compound name

5,7-dibromo-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 289.86905 Da
Monoisotopic Mass: 2.8
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]+	290.87633	152.6
[M+Na]+	312.85827	148.2
[M+NH4]+	307.90287	154.7
[M+K]+	328.83221	155.4
[M-H]-	288.86177	154.1
[M+Na-2H]-	310.84372	153.4
[M]+	289.86850	151.3
[M]-	289.86960	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe