CID 101909204

2-hydroxy-2-(2-iodophenyl)acetic acid

Structural Information

Molecular Formula
C8H7IO3
SMILES
C1=CC=C(C(=C1)C(C(=O)O)O)I
InChI
InChI=1S/C8H7IO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKey
OVMORXHSBKENPM-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-iodophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.944 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.951276 146.4
[M+Na]+ 300.933218 146.5
[M-H]- 276.936724 140.7
[M+NH4]+ 295.977823 160.2
[M+K]+ 316.907158 150.5
[M+H-H2O]+ 260.941260 137.5
[M+HCOO]- 322.942201 161.7
[M+CH3COO]- 336.957851 183.0
[M+Na-2H]- 298.918666 138.0
[M]+ 277.94345142 142.3
[M]- 277.94454858 142.3
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

No patent data available for this compound.