CID 3007229

Schembl5148404

Structural Information

Molecular Formula
C17H10Cl4N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C17H10Cl4N2O2/c18-12-6-2-5-11(15(12)19)13-8-14(25-23-13)9-3-1-4-10(7-9)22-17(24)16(20)21/h1-8,16H,(H,22,24)
InChIKey
PBHAVIOGDZEZFY-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

413.94965 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.95693 190.7
[M+Na]+ 436.93887 199.9
[M-H]- 412.94237 196.3
[M+NH4]+ 431.98347 201.1
[M+K]+ 452.91281 193.9
[M+H-H2O]+ 396.94691 183.4
[M+HCOO]- 458.94785 192.3
[M+CH3COO]- 472.96350 199.2
[M+Na-2H]- 434.92432 188.7
[M]+ 413.94910 195.1
[M]- 413.95020 195.1
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