CID 139390856

1-(fluoromethoxy)-3-iodobenzene

Structural Information

Molecular Formula
C7H6FIO
SMILES
C1=CC(=CC(=C1)I)OCF
InChI
InChI=1S/C7H6FIO/c8-5-10-7-3-1-2-6(9)4-7/h1-4H,5H2
InChIKey
ZEOZFBQFDOKRHE-UHFFFAOYSA-N
Compound name
1-(fluoromethoxy)-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.94473 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95201 133.5
[M+Na]+ 274.93395 135.3
[M-H]- 250.93745 129.1
[M+NH4]+ 269.97855 150.1
[M+K]+ 290.90789 139.6
[M+H-H2O]+ 234.94199 123.7
[M+HCOO]- 296.94293 152.5
[M+CH3COO]- 310.95858 183.0
[M+Na-2H]- 272.91940 128.9
[M]+ 251.94418 130.9
[M]- 251.94528 130.9
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