CID 15345725

155928-39-5

Structural Information

Molecular Formula
C8H8INO3
SMILES
COC1=CC(=C(C=C1C(=O)O)I)N
InChI
InChI=1S/C8H8INO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
XEQJZCQCBUXZJK-UHFFFAOYSA-N
Compound name
4-amino-5-iodo-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

292.9549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.96218 151.7
[M+Na]+ 315.94412 153.2
[M-H]- 291.94762 147.4
[M+NH4]+ 310.98872 165.6
[M+K]+ 331.91806 157.3
[M+H-H2O]+ 275.95216 142.3
[M+HCOO]- 337.95310 169.6
[M+CH3COO]- 351.96875 191.0
[M+Na-2H]- 313.92957 142.6
[M]+ 292.95435 149.0
[M]- 292.95545 149.0
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