CID 83728143

1260756-93-1

Structural Information

Molecular Formula

C₁₁H₁₀BrNO

SMILES

COC1=C(C=C(C=C1)Br)C2(CC2)C#N

InChI

InChI=1S/C11H10BrNO/c1-14-10-3-2-8(12)6-9(10)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3

InChIKey

SKGMEUYHZKVHIZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 250.99458 Da
Monoisotopic Mass: 2.6
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]+	252.001856	145.3
[M+Na]+	273.983798	165.2
[M-H]-	249.987304	155.4
[M+NH4]+	269.028403	163.6
[M+K]+	289.957738	150.6
[M+H-H2O]+	233.991840	141.7
[M+HCOO]-	295.992781	167.5
[M+CH3COO]-	310.008431	204.1
[M+Na-2H]-	271.969246	154.3
[M]+	250.99403142	162.1
[M]-	250.99512858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe