CID 820071

(2-iodo-5-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H9IO3
SMILES
COC1=CC(=C(C=C1)I)CC(=O)O
InChI
InChI=1S/C9H9IO3/c1-13-7-2-3-8(10)6(4-7)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
ZRIUMVJDVBPHNF-UHFFFAOYSA-N
Compound name
2-(2-iodo-5-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

291.95963 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.96691 148.6
[M+Na]+ 314.94885 149.8
[M-H]- 290.95235 144.3
[M+NH4]+ 309.99345 163.0
[M+K]+ 330.92279 154.0
[M+H-H2O]+ 274.95689 139.4
[M+HCOO]- 336.95783 166.0
[M+CH3COO]- 350.97348 188.5
[M+Na-2H]- 312.93430 140.8
[M]+ 291.95908 147.7
[M]- 291.96018 147.7
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