CID 3007289

Schembl5150488

Structural Information

Molecular Formula
C17H9Cl5N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC(=C3Cl)Cl)Cl
InChI
InChI=1S/C17H9Cl5N2O2/c18-10-4-5-11(19)15(20)14(10)12-7-13(26-24-12)8-2-1-3-9(6-8)23-17(25)16(21)22/h1-7,16H,(H,23,25)
InChIKey
HOWOLNWRQVXJIC-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,3,6-trichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

447.91068 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.91796 196.9
[M+Na]+ 470.89990 205.7
[M-H]- 446.90340 200.4
[M+NH4]+ 465.94450 205.6
[M+K]+ 486.87384 200.5
[M+H-H2O]+ 430.90794 190.0
[M+HCOO]- 492.90888 192.9
[M+CH3COO]- 506.92453 203.7
[M+Na-2H]- 468.88535 192.7
[M]+ 447.91013 200.0
[M]- 447.91123 200.0
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

patents stripe