CID 45598109

2-(4-iodophenoxy)malondialdehyde

Structural Information

Molecular Formula
C9H7IO3
SMILES
C1=CC(=CC=C1OC(C=O)C=O)I
InChI
InChI=1S/C9H7IO3/c10-7-1-3-8(4-2-7)13-9(5-11)6-12/h1-6,9H
InChIKey
UYOQONYSKPXZHI-UHFFFAOYSA-N
Compound name
2-(4-iodophenoxy)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

289.944 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.95128 146.5
[M+Na]+ 312.93322 147.6
[M-H]- 288.93672 143.2
[M+NH4]+ 307.97782 161.2
[M+K]+ 328.90716 152.0
[M+H-H2O]+ 272.94126 136.9
[M+HCOO]- 334.94220 165.5
[M+CH3COO]- 348.95785 189.0
[M+Na-2H]- 310.91867 139.9
[M]+ 289.94345 146.3
[M]- 289.94455 146.3
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