CID 14104556

4-iodo-3-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

261.94907 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe