CID 17934227

4-iodo-3-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7IO3
SMILES
COC1=C(C=CC(=C1)C(=O)O)I
InChI
InChI=1S/C8H7IO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChIKey
WUGQVHZHKSOODO-UHFFFAOYSA-N
Compound name
4-iodo-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

277.944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.951276 143.6
[M+Na]+ 300.933218 145.3
[M-H]- 276.936724 139.6
[M+NH4]+ 295.977823 158.6
[M+K]+ 316.907158 149.7
[M+H-H2O]+ 260.941260 134.7
[M+HCOO]- 322.942201 161.4
[M+CH3COO]- 336.957851 185.6
[M+Na-2H]- 298.918666 136.4
[M]+ 277.94345142 142.4
[M]- 277.94454858 142.4
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