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

55
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

literature stripe

Patent stripe

patents stripe