CID 59949602

131974-13-5

Structural Information

Molecular Formula

C₁₁H₈BrNO₂

SMILES

C1=CC=C(C=C1)C2=NOC=C2C(=O)CBr

InChI

InChI=1S/C11H8BrNO2/c12-6-10(14)9-7-15-13-11(9)8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey

WRHNHGYQHCGJLB-UHFFFAOYSA-N

Compound name

2-bromo-1-(3-phenyl-1,2-oxazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 264.97385 Da
Monoisotopic Mass: 2.5
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]+	265.981126	150.2
[M+Na]+	287.963068	161.9
[M-H]-	263.966574	159.0
[M+NH4]+	283.007673	169.4
[M+K]+	303.937008	152.5
[M+H-H2O]+	247.971110	149.6
[M+HCOO]-	309.972051	171.4
[M+CH3COO]-	323.987701	190.7
[M+Na-2H]-	285.948516	156.9
[M]+	264.97330142	170.6
[M]-	264.97439858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe