CID 77174658

4-chloro-2-iodobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

literature stripe

Patent stripe

patents stripe