CID 2758422

2-iodo-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C9H9IO4
SMILES
COC1=C(C=C(C(=C1)C(=O)O)I)OC
InChI
InChI=1S/C9H9IO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChIKey
HLLHFIIJEOARHX-UHFFFAOYSA-N
Compound name
2-iodo-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

307.95456 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.96184 153.3
[M+Na]+ 330.94378 157.5
[M+NH4]+ 325.98838 155.8
[M+K]+ 346.91772 156.0
[M-H]- 306.94728 147.4
[M+Na-2H]- 328.92923 145.1
[M]+ 307.95401 151.0
[M]- 307.95511 151.0
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

patents stripe