CID 22915474

4-(4-iodophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11IO3
SMILES
C1=CC(=CC=C1OCCCC(=O)O)I
InChI
InChI=1S/C10H11IO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChIKey
KNJVONAIYWOGAG-UHFFFAOYSA-N
Compound name
4-(4-iodophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

305.97528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98256 155.0
[M+Na]+ 328.96450 154.9
[M-H]- 304.96800 150.1
[M+NH4]+ 324.00910 168.5
[M+K]+ 344.93844 158.8
[M+H-H2O]+ 288.97254 145.3
[M+HCOO]- 350.97348 172.0
[M+CH3COO]- 364.98913 190.2
[M+Na-2H]- 326.94995 147.1
[M]+ 305.97473 154.0
[M]- 305.97583 154.0
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