CID 154814249

2551115-70-7

Structural Information

Molecular Formula
C9H8FIO3
SMILES
COC(=O)C(C1=CC(=C(C=C1)F)I)O
InChI
InChI=1S/C9H8FIO3/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8,12H,1H3
InChIKey
MOVWHQBYIBONDW-UHFFFAOYSA-N
Compound name
methyl 2-(4-fluoro-3-iodophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.95023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.95751 150.3
[M+Na]+ 332.93945 151.4
[M-H]- 308.94295 144.8
[M+NH4]+ 327.98405 163.9
[M+K]+ 348.91339 155.7
[M+H-H2O]+ 292.94749 140.3
[M+HCOO]- 354.94843 165.8
[M+CH3COO]- 368.96408 191.2
[M+Na-2H]- 330.92490 140.9
[M]+ 309.94968 147.6
[M]- 309.95078 147.6
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.