CID 49949

67624-98-0

Structural Information

Molecular Formula
C12H13Cl3N2O2
SMILES
C1COCCN1CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C12H13Cl3N2O2/c13-8-5-9(14)12(10(15)6-8)16-11(18)7-17-1-3-19-4-2-17/h5-6H,1-4,7H2,(H,16,18)
InChIKey
IBOXGQFTAOXOID-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-(2,4,6-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

322.00427 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01155 168.7
[M+Na]+ 344.99349 175.9
[M-H]- 320.99699 172.1
[M+NH4]+ 340.03809 181.3
[M+K]+ 360.96743 171.2
[M+H-H2O]+ 305.00153 162.4
[M+HCOO]- 367.00247 172.5
[M+CH3COO]- 381.01812 204.7
[M+Na-2H]- 342.97894 170.1
[M]+ 322.00372 169.3
[M]- 322.00482 169.3
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

No patent data available for this compound.