CID 12595048

2,3,4-trichlorobenzaldehyde

Structural Information

Molecular Formula
C7H3Cl3O
SMILES
C1=CC(=C(C(=C1C=O)Cl)Cl)Cl
InChI
InChI=1S/C7H3Cl3O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-3H
InChIKey
WMOOOIUXYRHDEZ-UHFFFAOYSA-N
Compound name
2,3,4-trichlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

207.92494 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.93222 135.1
[M+Na]+ 230.91416 151.3
[M+NH4]+ 225.95876 144.7
[M+K]+ 246.88810 142.8
[M-H]- 206.91766 137.4
[M+Na-2H]- 228.89961 142.9
[M]+ 207.92439 139.0
[M]- 207.92549 139.0
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