CID 119030974

Methyl 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₀BrFO₂

SMILES

COC(=O)C1(CC1)C2=CC(=CC(=C2)Br)F

InChI

InChI=1S/C11H10BrFO2/c1-15-10(14)11(2-3-11)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3

InChIKey

BRCKPPXXLUSYAW-UHFFFAOYSA-N

Compound name

methyl 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.98483 Da
Monoisotopic Mass: 2.8
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]+	272.992106	149.1
[M+Na]+	294.974048	163.0
[M-H]-	270.977554	158.4
[M+NH4]+	290.018653	166.7
[M+K]+	310.947988	152.4
[M+H-H2O]+	254.982090	148.8
[M+HCOO]-	316.983031	169.4
[M+CH3COO]-	330.998681	196.2
[M+Na-2H]-	292.959496	155.5
[M]+	271.98428142	170.1
[M]-	271.98537858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.