CID 51059982

3-(2-iodophenyl)butanoic acid

Structural Information

Molecular Formula
C10H11IO2
SMILES
CC(CC(=O)O)C1=CC=CC=C1I
InChI
InChI=1S/C10H11IO2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey
BGYLABALGVZIFC-UHFFFAOYSA-N
Compound name
3-(2-iodophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.98038 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.98766 150.6
[M+Na]+ 312.96960 154.6
[M+NH4]+ 308.01420 153.9
[M+K]+ 328.94354 152.3
[M-H]- 288.97310 145.4
[M+Na-2H]- 310.95505 143.2
[M]+ 289.97983 148.5
[M]- 289.98093 148.5
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.