CID 22189

5902-69-2

Structural Information

Molecular Formula
C8H4Cl4O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)CCl
InChI
InChI=1S/C8H4Cl4O2/c9-3-8(13)14-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2
InChIKey
HERRLRXZMJPBFQ-UHFFFAOYSA-N
Compound name
(2,4,5-trichlorophenyl) 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

271.89655 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.90383 146.7
[M+Na]+ 294.88577 157.6
[M-H]- 270.88927 147.7
[M+NH4]+ 289.93037 164.3
[M+K]+ 310.85971 152.2
[M+H-H2O]+ 254.89381 144.7
[M+HCOO]- 316.89475 150.5
[M+CH3COO]- 330.91040 195.2
[M+Na-2H]- 292.87122 148.6
[M]+ 271.89600 150.7
[M]- 271.89710 150.7
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