CID 56965572

4-fluoro-1-iodo-2-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

251.94473 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95201 135.5
[M+Na]+ 274.93395 141.1
[M+NH4]+ 269.97855 140.0
[M+K]+ 290.90789 137.7
[M-H]- 250.93745 130.7
[M+Na-2H]- 272.91940 130.1
[M]+ 251.94418 133.9
[M]- 251.94528 133.9
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