CID 12520164

4-fluoro-2-iodobenzoic acid

Structural Information

Molecular Formula
C7H4FIO2
SMILES
C1=CC(=C(C=C1F)I)C(=O)O
InChI
InChI=1S/C7H4FIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
DUKFTVLJAXWGPI-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

265.924 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.931276 136.3
[M+Na]+ 288.913218 138.6
[M-H]- 264.916724 131.2
[M+NH4]+ 283.957823 151.8
[M+K]+ 304.887158 142.3
[M+H-H2O]+ 248.921260 127.0
[M+HCOO]- 310.922201 153.3
[M+CH3COO]- 324.937851 183.4
[M+Na-2H]- 286.898666 129.3
[M]+ 265.92345142 132.4
[M]- 265.92454858 132.4
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