CID 91618990

1314699-91-6

Structural Information

Molecular Formula

C₁₁H₁₀FNO

SMILES

COC1=CC(=C(C=C1)F)C2(CC2)C#N

InChI

InChI=1S/C11H10FNO/c1-14-8-2-3-10(12)9(6-8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3

InChIKey

FUOKOMCEJFPWRA-UHFFFAOYSA-N

Compound name

1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 191.07465 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]+	192.08193	134.2
[M+Na]+	214.06387	151.3
[M-H]-	190.06737	142.2
[M+NH4]+	209.10847	151.3
[M+K]+	230.03781	144.6
[M+H-H2O]+	174.07191	124.5
[M+HCOO]-	236.07285	155.9
[M+CH3COO]-	250.08850	198.2
[M+Na-2H]-	212.04932	142.4
[M]+	191.07410	134.0
[M]-	191.07520	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe