CID 130763

4-iodophenylglycine

Structural Information

Molecular Formula
C8H8INO2
SMILES
C1=CC(=CC=C1C(C(=O)O)N)I
InChI
InChI=1S/C8H8INO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey
SHUIEJDVWZHDTI-UHFFFAOYSA-N
Compound name
2-amino-2-(4-iodophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

276.96 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96728 149.5
[M+Na]+ 299.94922 149.2
[M-H]- 275.95272 144.6
[M+NH4]+ 294.99382 163.5
[M+K]+ 315.92316 153.1
[M+H-H2O]+ 259.95726 140.1
[M+HCOO]- 321.95820 166.4
[M+CH3COO]- 335.97385 187.5
[M+Na-2H]- 297.93467 140.6
[M]+ 276.95945 144.1
[M]- 276.96055 144.1
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

patents stripe