CID 3007262

Schembl5150494

Structural Information

Molecular Formula
C17H11Cl3N2O3
SMILES
C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3Cl)O
InChI
InChI=1S/C17H11Cl3N2O3/c18-11-5-2-6-13(23)15(11)12-8-14(25-22-12)9-3-1-4-10(7-9)21-17(24)16(19)20/h1-8,16,23H,(H,21,24)
InChIKey
VMDSFMOGHMXJIA-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-chloro-6-hydroxyphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

395.98352 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.99080 186.1
[M+Na]+ 418.97274 195.3
[M-H]- 394.97624 192.7
[M+NH4]+ 414.01734 196.8
[M+K]+ 434.94668 189.4
[M+H-H2O]+ 378.98078 179.1
[M+HCOO]- 440.98172 192.4
[M+CH3COO]- 454.99737 195.6
[M+Na-2H]- 416.95819 185.5
[M]+ 395.98297 191.0
[M]- 395.98407 191.0
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