CID 66524846

2-chloro-6-fluoro-3-iodobenzoic acid

Structural Information

Molecular Formula
C7H3ClFIO2
SMILES
C1=CC(=C(C(=C1F)C(=O)O)Cl)I
InChI
InChI=1S/C7H3ClFIO2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H,11,12)
InChIKey
XTZCQKSICWVALD-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.88504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.89232 138.1
[M+Na]+ 322.87426 142.0
[M-H]- 298.87776 133.2
[M+NH4]+ 317.91886 153.4
[M+K]+ 338.84820 143.9
[M+H-H2O]+ 282.88230 129.9
[M+HCOO]- 344.88324 150.9
[M+CH3COO]- 358.89889 188.1
[M+Na-2H]- 320.85971 130.5
[M]+ 299.88449 136.5
[M]- 299.88559 136.5
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.