CID 20085153

13370-63-3

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

22
Patents

276.96 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.967276 148.0
[M+Na]+ 299.949218 147.9
[M-H]- 275.952724 143.4
[M+NH4]+ 294.993823 162.3
[M+K]+ 315.923158 151.7
[M+H-H2O]+ 259.957260 138.4
[M+HCOO]- 321.958201 166.4
[M+CH3COO]- 335.973851 187.2
[M+Na-2H]- 297.934666 141.3
[M]+ 276.95945142 144.2
[M]- 276.96054858 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