CID 3007238

Schembl5150476

Structural Information

Molecular Formula
C17H10Cl3FN2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C17H10Cl3FN2O2/c18-11-5-2-6-12(21)15(11)13-8-14(25-23-13)9-3-1-4-10(7-9)22-17(24)16(19)20/h1-8,16H,(H,22,24)
InChIKey
ICPJRCCFIKBNRW-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

397.9792 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98648 186.3
[M+Na]+ 420.96842 196.2
[M-H]- 396.97192 192.7
[M+NH4]+ 416.01302 197.6
[M+K]+ 436.94236 189.7
[M+H-H2O]+ 380.97646 177.9
[M+HCOO]- 442.97740 192.7
[M+CH3COO]- 456.99305 196.0
[M+Na-2H]- 418.95387 185.3
[M]+ 397.97865 190.7
[M]- 397.97975 190.7
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