CID 58201748

1245651-29-9

Structural Information

Molecular Formula

C₁₀H₇BrFNO

SMILES

C1=CC(=C(C=C1C2=NC=CO2)F)CBr

InChI

InChI=1S/C10H7BrFNO/c11-6-8-2-1-7(5-9(8)12)10-13-3-4-14-10/h1-5H,6H2

InChIKey

LARJNQWIWHUHNB-UHFFFAOYSA-N

Compound name

2-[4-(bromomethyl)-3-fluorophenyl]-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 254.9695 Da
Monoisotopic Mass: 2.7
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]+	255.97678	152.3
[M+Na]+	277.95872	156.7
[M+NH4]+	273.00332	157.0
[M+K]+	293.93266	157.1
[M-H]-	253.96222	154.1
[M+Na-2H]-	275.94417	156.2
[M]+	254.96895	152.3
[M]-	254.97005	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe