CID 52068

2,4,6-trichloro-3-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H3Cl3O2
SMILES
C1=C(C(=C(C(=C1Cl)O)Cl)C=O)Cl
InChI
InChI=1S/C7H3Cl3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H
InChIKey
WSVXMUOROYTNQL-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-3-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.91986 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.927136 135.4
[M+Na]+ 246.909078 148.0
[M-H]- 222.912584 137.2
[M+NH4]+ 241.953683 155.1
[M+K]+ 262.883018 142.0
[M+H-H2O]+ 206.917120 133.7
[M+HCOO]- 268.918061 144.7
[M+CH3COO]- 282.933711 184.8
[M+Na-2H]- 244.894526 139.3
[M]+ 223.91931142 139.3
[M]- 223.92040858 139.3
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