CID 15343322

1-(cyclopentyloxy)-4-iodobenzene

Structural Information

Molecular Formula
C11H13IO
SMILES
C1CCC(C1)OC2=CC=C(C=C2)I
InChI
InChI=1S/C11H13IO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKey
FWCPJYISPKFKQG-UHFFFAOYSA-N
Compound name
1-cyclopentyloxy-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

288.0011 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.00838 146.7
[M+Na]+ 310.99032 146.1
[M-H]- 286.99382 145.6
[M+NH4]+ 306.03492 163.1
[M+K]+ 326.96426 149.6
[M+H-H2O]+ 270.99836 136.8
[M+HCOO]- 332.99930 164.8
[M+CH3COO]- 347.01495 188.3
[M+Na-2H]- 308.97577 138.8
[M]+ 288.00055 142.0
[M]- 288.00165 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe