CID 134581

2,3,4,5-tetrachlorophenyl acetate

Structural Information

Molecular Formula
C8H4Cl4O2
SMILES
CC(=O)OC1=CC(=C(C(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H4Cl4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3
InChIKey
QHRJCQOAJGBWRV-UHFFFAOYSA-N
Compound name
(2,3,4,5-tetrachlorophenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.9
[M+Na]+ 294.88577 157.6
[M-H]- 270.88927 147.3
[M+NH4]+ 289.93037 163.8
[M+K]+ 310.85971 152.4
[M+H-H2O]+ 254.89381 144.3
[M+HCOO]- 316.89475 149.7
[M+CH3COO]- 330.91040 196.3
[M+Na-2H]- 292.87122 147.3
[M]+ 271.89600 150.3
[M]- 271.89710 150.3
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