CID 13450756

4-iodo-2-methoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

277.944 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95128 144.8
[M+Na]+ 300.93322 149.4
[M+NH4]+ 295.97782 148.1
[M+K]+ 316.90716 147.6
[M-H]- 276.93672 139.5
[M+Na-2H]- 298.91867 137.7
[M]+ 277.94345 142.8
[M]- 277.94455 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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