CID 20085153

N-(4-iodophenyl)glycine

Structural Information

Molecular Formula
C8H8INO2
SMILES
C1=CC(=CC=C1NCC(=O)O)I
InChI
InChI=1S/C8H8INO2/c9-6-1-3-7(4-2-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKey
RRRDVBAZCFOXDR-UHFFFAOYSA-N
Compound name
2-(4-iodoanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

276.96 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96728 148.0
[M+Na]+ 299.94922 147.9
[M-H]- 275.95272 143.4
[M+NH4]+ 294.99382 162.3
[M+K]+ 315.92316 151.7
[M+H-H2O]+ 259.95726 138.4
[M+HCOO]- 321.95820 166.4
[M+CH3COO]- 335.97385 187.2
[M+Na-2H]- 297.93467 141.3
[M]+ 276.95945 144.2
[M]- 276.96055 144.2
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