CID 2736580

175204-41-8

Structural Information

Molecular Formula

C₁₁H₆ClFN₂O

SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C#N

InChI

InChI=1S/C11H6ClFN2O/c1-6-7(5-14)11(15-16-6)10-8(12)3-2-4-9(10)13/h2-4H,1H3

InChIKey

ODJAAPYNVRPGAG-UHFFFAOYSA-N

Compound name

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 236.01527 Da
Monoisotopic Mass: 2.9
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]+	237.02255	145.4
[M+Na]+	259.00449	159.5
[M-H]-	235.00799	149.5
[M+NH4]+	254.04909	161.7
[M+K]+	274.97843	154.1
[M+H-H2O]+	219.01253	131.5
[M+HCOO]-	281.01347	160.5
[M+CH3COO]-	295.02912	157.9
[M+Na-2H]-	256.98994	149.0
[M]+	236.01472	143.5
[M]-	236.01582	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe