CID 22236851

2-(2-iodophenyl)propanoic acid

Structural Information

Molecular Formula
C9H9IO2
SMILES
CC(C1=CC=CC=C1I)C(=O)O
InChI
InChI=1S/C9H9IO2/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-6H,1H3,(H,11,12)
InChIKey
OFUOBAZZBYMDPG-UHFFFAOYSA-N
Compound name
2-(2-iodophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

275.96472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.97200 145.2
[M+Na]+ 298.95394 145.4
[M-H]- 274.95744 140.7
[M+NH4]+ 293.99854 159.9
[M+K]+ 314.92788 149.5
[M+H-H2O]+ 258.96198 136.2
[M+HCOO]- 320.96292 161.5
[M+CH3COO]- 334.97857 186.3
[M+Na-2H]- 296.93939 137.0
[M]+ 275.96417 142.0
[M]- 275.96527 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

No patent data available for this compound.