CID 69839

3-iodoanisole

Structural Information

Molecular Formula
C7H7IO
SMILES
COC1=CC(=CC=C1)I
InChI
InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
RSHBAGGASAJQCH-UHFFFAOYSA-N
Compound name
1-iodo-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2107
Patents

233.95416 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe