CID 132327940

4-iodo-2,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H9IO
SMILES
CC1=CC(=C(C=C1I)C)C=O
InChI
InChI=1S/C9H9IO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-5H,1-2H3
InChIKey
PHWCANJGUNVAAH-UHFFFAOYSA-N
Compound name
4-iodo-2,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.96982 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.977096 136.3
[M+Na]+ 282.959038 139.3
[M-H]- 258.962544 133.8
[M+NH4]+ 278.003643 153.2
[M+K]+ 298.932978 143.1
[M+H-H2O]+ 242.967080 127.8
[M+HCOO]- 304.968021 155.9
[M+CH3COO]- 318.983671 187.4
[M+Na-2H]- 280.944486 130.1
[M]+ 259.96927142 135.6
[M]- 259.97036858 135.6
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

No patent data available for this compound.