CID 11043079

1-(iodomethyl)-3-methoxybenzene

Structural Information

Molecular Formula
C8H9IO
SMILES
COC1=CC=CC(=C1)CI
InChI
InChI=1S/C8H9IO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChIKey
ZMRHSVHQTSNEQO-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

247.9698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97708 136.3
[M+Na]+ 270.95902 137.7
[M-H]- 246.96252 133.1
[M+NH4]+ 266.00362 153.1
[M+K]+ 286.93296 142.1
[M+H-H2O]+ 230.96706 127.3
[M+HCOO]- 292.96800 156.0
[M+CH3COO]- 306.98365 183.3
[M+Na-2H]- 268.94447 131.7
[M]+ 247.96925 135.1
[M]- 247.97035 135.1
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