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]+ 278.95128 146.4
[M+Na]+ 300.93322 146.5
[M-H]- 276.93672 140.7
[M+NH4]+ 295.97782 160.2
[M+K]+ 316.90716 150.5
[M+H-H2O]+ 260.94126 137.5
[M+HCOO]- 322.94220 161.7
[M+CH3COO]- 336.95785 183.0
[M+Na-2H]- 298.91867 138.0
[M]+ 277.94345 142.3
[M]- 277.94455 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.