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
4
Annotation Hits

1
References

1934
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 131.4
[M+Na]+ 256.94338 133.1
[M-H]- 232.94688 128.3
[M+NH4]+ 251.98798 148.7
[M+K]+ 272.91732 137.8
[M+H-H2O]+ 216.95142 122.6
[M+HCOO]- 278.95236 151.3
[M+CH3COO]- 292.96801 180.4
[M+Na-2H]- 254.92883 127.3
[M]+ 233.95361 129.8
[M]- 233.95471 129.8
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

No patent data available for this compound.