CID 23505186

2-(4-chloro-3-iodophenyl)acetic acid

Structural Information

Molecular Formula
C8H6ClIO2
SMILES
C1=CC(=C(C=C1CC(=O)O)I)Cl
InChI
InChI=1S/C8H6ClIO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
VSDFRDKCIQNWDW-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-iodophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9101 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.91738 142.9
[M+Na]+ 318.89932 145.5
[M-H]- 294.90282 138.7
[M+NH4]+ 313.94392 158.1
[M+K]+ 334.87326 147.5
[M+H-H2O]+ 278.90736 135.1
[M+HCOO]- 340.90830 156.3
[M+CH3COO]- 354.92395 187.3
[M+Na-2H]- 316.88477 135.7
[M]+ 295.90955 142.3
[M]- 295.91065 142.3
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

No patent data available for this compound.