CID 57565882

5-chloro-2-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4ClIO
SMILES
C1=CC(=C(C=C1Cl)C=O)I
InChI
InChI=1S/C7H4ClIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey
WJJNLCSRPMRUCY-UHFFFAOYSA-N
Compound name
5-chloro-2-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

265.89954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.90682 132.5
[M+Na]+ 288.88876 136.2
[M-H]- 264.89226 129.7
[M+NH4]+ 283.93336 149.7
[M+K]+ 304.86270 138.4
[M+H-H2O]+ 248.89680 124.8
[M+HCOO]- 310.89774 148.4
[M+CH3COO]- 324.91339 184.3
[M+Na-2H]- 286.87421 127.7
[M]+ 265.89899 132.6
[M]- 265.90009 132.6
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

patents stripe