CID 21187203

458-51-5

Structural Information

Molecular Formula
C7H6FIO
SMILES
COC1=CC(=C(C=C1)I)F
InChI
InChI=1S/C7H6FIO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
CGSWCMRVWKVUSA-UHFFFAOYSA-N
Compound name
2-fluoro-1-iodo-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

251.94473 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.952006 132.1
[M+Na]+ 274.933948 134.8
[M-H]- 250.937454 128.2
[M+NH4]+ 269.978553 149.0
[M+K]+ 290.907888 139.2
[M+H-H2O]+ 234.941990 122.7
[M+HCOO]- 296.942931 151.1
[M+CH3COO]- 310.958581 184.0
[M+Na-2H]- 272.919396 127.0
[M]+ 251.94418142 129.9
[M]- 251.94527858 129.9
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