CID 116031

2-chloroethyl 4-(trichloromethyl)benzoate

Structural Information

Molecular Formula
C10H8Cl4O2
SMILES
C1=CC(=CC=C1C(=O)OCCCl)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H8Cl4O2/c11-5-6-16-9(15)7-1-3-8(4-2-7)10(12,13)14/h1-4H,5-6H2
InChIKey
FYQVQCVGCOEMQQ-UHFFFAOYSA-N
Compound name
2-chloroethyl 4-(trichloromethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.92783 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.93511 157.7
[M+Na]+ 322.91705 166.6
[M-H]- 298.92055 158.3
[M+NH4]+ 317.96165 173.9
[M+K]+ 338.89099 161.0
[M+H-H2O]+ 282.92509 155.0
[M+HCOO]- 344.92603 159.4
[M+CH3COO]- 358.94168 198.2
[M+Na-2H]- 320.90250 160.4
[M]+ 299.92728 161.3
[M]- 299.92838 161.3
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

No patent data available for this compound.