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 136.3
[M+Na]+ 282.95904 139.3
[M-H]- 258.96254 133.8
[M+NH4]+ 278.00364 153.2
[M+K]+ 298.93298 143.1
[M+H-H2O]+ 242.96708 127.8
[M+HCOO]- 304.96802 155.9
[M+CH3COO]- 318.98367 187.4
[M+Na-2H]- 280.94449 130.1
[M]+ 259.96927 135.6
[M]- 259.97037 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.