CID 130925032

2-(3-iodophenyl)propanal

Structural Information

Molecular Formula
C9H9IO
SMILES
CC(C=O)C1=CC(=CC=C1)I
InChI
InChI=1S/C9H9IO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-7H,1H3
InChIKey
HLEFHBSZFVECTP-UHFFFAOYSA-N
Compound name
2-(3-iodophenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.96982 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97710 140.3
[M+Na]+ 282.95904 145.8
[M+NH4]+ 278.00364 144.9
[M+K]+ 298.93298 142.5
[M-H]- 258.96254 136.4
[M+Na-2H]- 280.94449 134.8
[M]+ 259.96927 138.9
[M]- 259.97037 138.9
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.