CID 18526076

119162-52-6

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

C1=CC(=CC(=C1)Br)C2=NOC(=C2)N

InChI

InChI=1S/C9H7BrN2O/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,11H2

InChIKey

QDLXPXDDINSMEW-UHFFFAOYSA-N

Compound name

3-(3-bromophenyl)-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 237.97418 Da
Monoisotopic Mass: 2.4
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]+	238.98146	143.1
[M+Na]+	260.96340	155.8
[M-H]-	236.96690	151.9
[M+NH4]+	256.00800	163.3
[M+K]+	276.93734	145.5
[M+H-H2O]+	220.97144	142.2
[M+HCOO]-	282.97238	165.8
[M+CH3COO]-	296.98803	158.9
[M+Na-2H]-	258.94885	150.8
[M]+	237.97363	161.5
[M]-	237.97473	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe