CID 10490990

1-fluoro-2-iodo-4-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 132.1
[M+Na]+ 274.93395 134.8
[M-H]- 250.93745 128.2
[M+NH4]+ 269.97855 149.0
[M+K]+ 290.90789 139.2
[M+H-H2O]+ 234.94199 122.7
[M+HCOO]- 296.94293 151.1
[M+CH3COO]- 310.95858 184.0
[M+Na-2H]- 272.91940 127.0
[M]+ 251.94418 129.9
[M]- 251.94528 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