CID 146013472

4-chloro-2-fluoro-6-iodobenzaldehyde

Structural Information

Molecular Formula
C7H3ClFIO
SMILES
C1=C(C=C(C(=C1F)C=O)I)Cl
InChI
InChI=1S/C7H3ClFIO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey
VDTLLNFVVOTEFG-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-6-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.8901 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.89738 132.8
[M+Na]+ 306.87932 137.5
[M-H]- 282.88282 129.1
[M+NH4]+ 301.92392 149.6
[M+K]+ 322.85326 139.3
[M+H-H2O]+ 266.88736 124.5
[M+HCOO]- 328.88830 147.8
[M+CH3COO]- 342.90395 187.9
[M+Na-2H]- 304.86477 127.0
[M]+ 283.88955 132.3
[M]- 283.89065 132.3
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