CID 21258150

Methyl 2-amino-3-iodobenzoate

Structural Information

Molecular Formula
C8H8INO2
SMILES
COC(=O)C1=C(C(=CC=C1)I)N
InChI
InChI=1S/C8H8INO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3
InChIKey
JJGYCXIZTSIOLA-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

276.96 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96728 146.8
[M+Na]+ 299.94922 150.8
[M+NH4]+ 294.99382 150.2
[M+K]+ 315.92316 148.7
[M-H]- 275.95272 142.4
[M+Na-2H]- 297.93467 139.7
[M]+ 276.95945 144.9
[M]- 276.96055 144.9
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