CID 137963901

2-(4-iodophenyl)propanedial

Structural Information

Molecular Formula
C9H7IO2
SMILES
C1=CC(=CC=C1C(C=O)C=O)I
InChI
InChI=1S/C9H7IO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-6,8H
InChIKey
LZLOKTNPVOHBMI-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.94907 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.95635 142.0
[M+Na]+ 296.93829 143.2
[M-H]- 272.94179 138.7
[M+NH4]+ 291.98289 157.5
[M+K]+ 312.91223 147.1
[M+H-H2O]+ 256.94633 132.7
[M+HCOO]- 318.94727 160.9
[M+CH3COO]- 332.96292 187.1
[M+Na-2H]- 294.92374 135.6
[M]+ 273.94852 140.5
[M]- 273.94962 140.5
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

No patent data available for this compound.