CID 20522666

2-(4-fluorobenzoyl)pyrazine

Structural Information

Molecular Formula

C₁₁H₇FN₂O

SMILES

C1=CC(=CC=C1C(=O)C2=NC=CN=C2)F

InChI

InChI=1S/C11H7FN2O/c12-9-3-1-8(2-4-9)11(15)10-7-13-5-6-14-10/h1-7H

InChIKey

UMXNIFULRQPXQH-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)-pyrazin-2-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 202.05424 Da
Monoisotopic Mass: 2.0
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]+	203.06152	140.1
[M+Na]+	225.04346	149.0
[M-H]-	201.04696	143.0
[M+NH4]+	220.08806	156.0
[M+K]+	241.01740	145.3
[M+H-H2O]+	185.05150	130.6
[M+HCOO]-	247.05244	161.1
[M+CH3COO]-	261.06809	184.2
[M+Na-2H]-	223.02891	147.5
[M]+	202.05369	138.5
[M]-	202.05479	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe