CID 3007264

Schembl5173611

Structural Information

Molecular Formula
C16H9Cl4N3O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=NOC(=N2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H9Cl4N3O2/c17-10-5-2-6-11(18)12(10)16-22-14(23-25-16)8-3-1-4-9(7-8)21-15(24)13(19)20/h1-7,13H,(H,21,24)
InChIKey
GXOMUVAQBKUBCH-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

414.9449 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.95218 188.5
[M+Na]+ 437.93412 197.7
[M-H]- 413.93762 192.9
[M+NH4]+ 432.97872 197.4
[M+K]+ 453.90806 192.1
[M+H-H2O]+ 397.94216 180.0
[M+HCOO]- 459.94310 189.0
[M+CH3COO]- 473.95875 196.6
[M+Na-2H]- 435.91957 187.0
[M]+ 414.94435 192.7
[M]- 414.94545 192.7
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

patents stripe