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

1
Patents

223.91986 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.92714 135.4
[M+Na]+ 246.90908 148.0
[M-H]- 222.91258 137.2
[M+NH4]+ 241.95368 155.1
[M+K]+ 262.88302 142.0
[M+H-H2O]+ 206.91712 133.7
[M+HCOO]- 268.91806 144.7
[M+CH3COO]- 282.93371 184.8
[M+Na-2H]- 244.89453 139.3
[M]+ 223.91931 139.3
[M]- 223.92041 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