CID 11390908

144900-34-5

Structural Information

Molecular Formula

C₁₁H₁₀Cl₂O₂

SMILES

CC(=O)OC1=CC=C(C=C1)C2CC2(Cl)Cl

InChI

InChI=1S/C11H10Cl2O2/c1-7(14)15-9-4-2-8(3-5-9)10-6-11(10,12)13/h2-5,10H,6H2,1H3

InChIKey

KOJAPEXFANADPV-UHFFFAOYSA-N

Compound name

[4-(2,2-dichlorocyclopropyl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 244.00578 Da
Monoisotopic Mass: 3.0
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]+	245.01306	142.9
[M+Na]+	266.99500	154.3
[M-H]-	242.99850	150.1
[M+NH4]+	262.03960	159.0
[M+K]+	282.96894	149.9
[M+H-H2O]+	227.00304	139.0
[M+HCOO]-	289.00398	157.3
[M+CH3COO]-	303.01963	192.4
[M+Na-2H]-	264.98045	148.1
[M]+	244.00523	150.0
[M]-	244.00633	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe