CID 71720949

4-bromobenzo[d]oxazol-2-amine

Structural Information

Molecular Formula

C₇H₅BrN₂O

SMILES

C1=CC2=C(C(=C1)Br)N=C(O2)N

InChI

InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)

InChIKey

VDOPLRREAKADRV-UHFFFAOYSA-N

Compound name

4-bromo-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 211.95853 Da
Monoisotopic Mass: 2.1
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]+	212.96581	136.9
[M+Na]+	234.94775	141.3
[M+NH4]+	229.99235	142.4
[M+K]+	250.92169	142.9
[M-H]-	210.95125	139.0
[M+Na-2H]-	232.93320	140.3
[M]+	211.95798	137.0
[M]-	211.95908	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe