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]+ 280.94695 141.3
[M+Na]+ 302.92889 143.1
[M-H]- 278.93239 136.0
[M+NH4]+ 297.97349 156.2
[M+K]+ 318.90283 146.6
[M+H-H2O]+ 262.93693 131.7
[M+HCOO]- 324.93787 158.0
[M+CH3COO]- 338.95352 186.2
[M+Na-2H]- 300.91434 133.7
[M]+ 279.93912 137.7
[M]- 279.94022 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.