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

150
Patents

277.944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95128 143.6
[M+Na]+ 300.93322 145.3
[M-H]- 276.93672 139.6
[M+NH4]+ 295.97782 158.6
[M+K]+ 316.90716 149.7
[M+H-H2O]+ 260.94126 134.7
[M+HCOO]- 322.94220 161.4
[M+CH3COO]- 336.95785 185.6
[M+Na-2H]- 298.91867 136.4
[M]+ 277.94345 142.4
[M]- 277.94455 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