CID 211578

Phenol, 2,4-dichloro-, trichloroacetate

Structural Information

Molecular Formula
C8H3Cl5O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H3Cl5O2/c9-4-1-2-6(5(10)3-4)15-7(14)8(11,12)13/h1-3H
InChIKey
VNVHPDIADHUZNF-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.85757 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.86485 156.5
[M+Na]+ 328.84679 165.8
[M-H]- 304.85029 155.6
[M+NH4]+ 323.89139 171.7
[M+K]+ 344.82073 161.0
[M+H-H2O]+ 288.85483 154.6
[M+HCOO]- 350.85577 153.2
[M+CH3COO]- 364.87142 200.2
[M+Na-2H]- 326.83224 157.7
[M]+ 305.85702 157.7
[M]- 305.85812 157.7
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