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]+ 260.97710 139.3
[M+Na]+ 282.95904 145.8
[M+NH4]+ 278.00364 144.0
[M+K]+ 298.93298 142.1
[M-H]- 258.96254 135.7
[M+Na-2H]- 280.94449 133.8
[M]+ 259.96927 138.2
[M]- 259.97037 138.2
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.