CID 91883704

2-(4-iodo-2-methylphenyl)acetic acid

Structural Information

Molecular Formula
C9H9IO2
SMILES
CC1=C(C=CC(=C1)I)CC(=O)O
InChI
InChI=1S/C9H9IO2/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
IKTIARHYFOYVBF-UHFFFAOYSA-N
Compound name
2-(4-iodo-2-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.96472 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.971996 144.1
[M+Na]+ 298.953938 145.5
[M-H]- 274.957444 139.9
[M+NH4]+ 293.998543 159.2
[M+K]+ 314.927878 149.2
[M+H-H2O]+ 258.961980 135.3
[M+HCOO]- 320.962921 161.4
[M+CH3COO]- 334.978571 186.5
[M+Na-2H]- 296.939386 136.5
[M]+ 275.96417142 141.9
[M]- 275.96526858 141.9
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