CID 367948

Nsc638152

Structural Information

Molecular Formula
C12H11Cl3N2O4
SMILES
CC(=O)NC(C(Cl)(Cl)Cl)ON1C(=O)COC2=CC=CC=C21
InChI
InChI=1S/C12H11Cl3N2O4/c1-7(18)16-11(12(13,14)15)21-17-8-4-2-3-5-9(8)20-6-10(17)19/h2-5,11H,6H2,1H3,(H,16,18)
InChIKey
ABRCGZKQANLGTM-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-[(3-oxo-1,4-benzoxazin-4-yl)oxy]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.97845 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.98573 169.5
[M+Na]+ 374.96767 177.2
[M-H]- 350.97117 171.6
[M+NH4]+ 370.01227 182.1
[M+K]+ 390.94161 174.1
[M+H-H2O]+ 334.97571 164.8
[M+HCOO]- 396.97665 171.8
[M+CH3COO]- 410.99230 208.9
[M+Na-2H]- 372.95312 173.9
[M]+ 351.97790 173.7
[M]- 351.97900 173.7
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

No patent data available for this compound.