CID 91882234

2-(2-fluoro-5-iodophenyl)acetic acid

Structural Information

Molecular Formula
C8H6FIO2
SMILES
C1=CC(=C(C=C1I)CC(=O)O)F
InChI
InChI=1S/C8H6FIO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
UULLUTVRMLHPLK-UHFFFAOYSA-N
Compound name
2-(2-fluoro-5-iodophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.93967 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.946946 141.3
[M+Na]+ 302.928888 143.1
[M-H]- 278.932394 136.0
[M+NH4]+ 297.973493 156.2
[M+K]+ 318.902828 146.6
[M+H-H2O]+ 262.936930 131.7
[M+HCOO]- 324.937871 158.0
[M+CH3COO]- 338.953521 186.2
[M+Na-2H]- 300.914336 133.7
[M]+ 279.93912142 137.7
[M]- 279.94021858 137.7
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

No patent data available for this compound.