CID 43657417

3-fluoro-4-(2-methoxyethoxy)benzonitrile

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

COCCOC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C10H10FNO2/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6H,4-5H2,1H3

InChIKey

CQPBGHVFFOEPSE-UHFFFAOYSA-N

Compound name

3-fluoro-4-(2-methoxyethoxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.06955 Da
Monoisotopic Mass: 1.6
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]+	196.076826	136.0
[M+Na]+	218.058768	146.7
[M-H]-	194.062274	138.3
[M+NH4]+	213.103373	153.8
[M+K]+	234.032708	144.2
[M+H-H2O]+	178.066810	123.0
[M+HCOO]-	240.067751	156.2
[M+CH3COO]-	254.083401	196.5
[M+Na-2H]-	216.044216	141.6
[M]+	195.06900142	133.5
[M]-	195.07009858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.