CID 3007251

Schembl5315477

Structural Information

Molecular Formula
C17H9Cl3F2N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC(=C3Cl)F)F
InChI
InChI=1S/C17H9Cl3F2N2O2/c18-15-11(22)5-4-10(21)14(15)12-7-13(26-24-12)8-2-1-3-9(6-8)23-17(25)16(19)20/h1-7,16H,(H,23,25)
InChIKey
DWXLDBNJUFCCBI-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

415.96976 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.97704 188.0
[M+Na]+ 438.95898 198.8
[M-H]- 414.96248 193.4
[M+NH4]+ 434.00358 198.8
[M+K]+ 454.93292 192.0
[M+H-H2O]+ 398.96702 179.0
[M+HCOO]- 460.96796 193.4
[M+CH3COO]- 474.98361 197.5
[M+Na-2H]- 436.94443 185.9
[M]+ 415.96921 191.9
[M]- 415.97031 191.9
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