CID 68257

2-iodoanisole

Structural Information

Molecular Formula
C7H7IO
SMILES
COC1=CC=CC=C1I
InChI
InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
DVQWNQBEUKXONL-UHFFFAOYSA-N
Compound name
1-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1904
Patents

233.95416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96144 131.0
[M+Na]+ 256.94338 137.2
[M+NH4]+ 251.98798 136.3
[M+K]+ 272.91732 133.7
[M-H]- 232.94688 127.6
[M+Na-2H]- 254.92883 126.6
[M]+ 233.95361 129.9
[M]- 233.95471 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

literature stripe

Patent stripe

patents stripe