CID 1494376

3-iodo-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7IO2
SMILES
COC1=C(C=C(C=C1)C=O)I
InChI
InChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey
RVWOHBWQJGLXIJ-UHFFFAOYSA-N
Compound name
3-iodo-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

261.94907 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.95635 139.0
[M+Na]+ 284.93829 144.9
[M+NH4]+ 279.98289 143.3
[M+K]+ 300.91223 141.7
[M-H]- 260.94179 134.8
[M+Na-2H]- 282.92374 133.4
[M]+ 261.94852 137.6
[M]- 261.94962 137.6
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