CID 58841088

630384-36-0

Structural Information

Molecular Formula

C₁₁H₁₁IO₂

SMILES

COC(=O)C1(CC1)C2=CC=C(C=C2)I

InChI

InChI=1S/C11H11IO2/c1-14-10(13)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3

InChIKey

AFNUSZPFMBSKAE-UHFFFAOYSA-N

Compound name

methyl 1-(4-iodophenyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 301.98038 Da
Monoisotopic Mass: 2.7
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]+	302.98766	149.6
[M+Na]+	324.96960	152.4
[M-H]-	300.97310	150.5
[M+NH4]+	320.01420	161.5
[M+K]+	340.94354	156.3
[M+H-H2O]+	284.97764	140.5
[M+HCOO]-	346.97858	168.0
[M+CH3COO]-	360.99423	194.0
[M+Na-2H]-	322.95505	144.3
[M]+	301.97983	150.9
[M]-	301.98093	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe