CID 69676

4-iodoanisole

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

28683
References

6104
Patents

233.95416 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.961436 131.4
[M+Na]+ 256.943378 133.1
[M-H]- 232.946884 128.3
[M+NH4]+ 251.987983 148.7
[M+K]+ 272.917318 137.8
[M+H-H2O]+ 216.951420 122.6
[M+HCOO]- 278.952361 151.3
[M+CH3COO]- 292.968011 180.4
[M+Na-2H]- 254.928826 127.3
[M]+ 233.95361142 129.8
[M]- 233.95470858 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