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

67
Patents

275.96472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.971996 145.2
[M+Na]+ 298.953938 145.4
[M-H]- 274.957444 140.7
[M+NH4]+ 293.998543 159.9
[M+K]+ 314.927878 149.5
[M+H-H2O]+ 258.961980 136.2
[M+HCOO]- 320.962921 161.5
[M+CH3COO]- 334.978571 186.3
[M+Na-2H]- 296.939386 137.0
[M]+ 275.96417142 142.0
[M]- 275.96526858 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

patents stripe