CID 13096

4-acetamidophenyl 2,2,2-trichloroethyl carbonate

Structural Information

Molecular Formula
C11H10Cl3NO4
SMILES
CC(=O)NC1=CC=C(C=C1)OC(=O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C11H10Cl3NO4/c1-7(16)15-8-2-4-9(5-3-8)19-10(17)18-6-11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKey
GZCRJHAVDRUHET-UHFFFAOYSA-N
Compound name
(4-acetamidophenyl) 2,2,2-trichloroethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.96753 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.97481 163.3
[M+Na]+ 347.95675 171.6
[M-H]- 323.96025 165.9
[M+NH4]+ 343.00135 178.8
[M+K]+ 363.93069 167.3
[M+H-H2O]+ 307.96479 160.0
[M+HCOO]- 369.96573 171.3
[M+CH3COO]- 383.98138 202.5
[M+Na-2H]- 345.94220 166.6
[M]+ 324.96698 169.4
[M]- 324.96808 169.4
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

No patent data available for this compound.