CID 40479721

5-(4-iodophenyl)pentanoic acid

Structural Information

Molecular Formula
C11H13IO2
SMILES
C1=CC(=CC=C1CCCCC(=O)O)I
InChI
InChI=1S/C11H13IO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)
InChIKey
AVVFIQYGBUOFDN-UHFFFAOYSA-N
Compound name
5-(4-iodophenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

303.99603 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.00331 155.5
[M+Na]+ 326.98525 155.1
[M-H]- 302.98875 150.5
[M+NH4]+ 322.02985 169.2
[M+K]+ 342.95919 158.2
[M+H-H2O]+ 286.99329 145.9
[M+HCOO]- 348.99423 172.0
[M+CH3COO]- 363.00988 191.1
[M+Na-2H]- 324.97070 147.2
[M]+ 303.99548 153.5
[M]- 303.99658 153.5
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

No patent data available for this compound.