CID 3007239

Schembl5154932

Structural Information

Molecular Formula
C17H10Br2Cl2N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)C(Br)Br)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H10Br2Cl2N2O2/c18-16(19)17(24)22-10-4-1-3-9(7-10)14-8-13(23-25-14)15-11(20)5-2-6-12(15)21/h1-8,16H,(H,22,24)
InChIKey
HMCSEQZLGAHTDS-UHFFFAOYSA-N
Compound name
2,2-dibromo-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

501.8486 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.85588 187.5
[M+Na]+ 524.83782 198.8
[M-H]- 500.84132 198.1
[M+NH4]+ 519.88242 200.3
[M+K]+ 540.81176 182.3
[M+H-H2O]+ 484.84586 194.3
[M+HCOO]- 546.84680 194.8
[M+CH3COO]- 560.86245 198.9
[M+Na-2H]- 522.82327 189.3
[M]+ 501.84805 224.5
[M]- 501.84915 224.5
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