CID 3019824

2-(3,4-dichlorophenyl)-5-phenyloxazole

Structural Information

Molecular Formula
C15H9Cl2NO
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2NO/c16-12-7-6-11(8-13(12)17)15-18-9-14(19-15)10-4-2-1-3-5-10/h1-9H
InChIKey
KNHKDAVYOIBWDF-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.00613 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.013406 162.9
[M+Na]+ 311.995348 174.3
[M-H]- 287.998854 171.6
[M+NH4]+ 307.039953 178.8
[M+K]+ 327.969288 168.1
[M+H-H2O]+ 272.003390 155.2
[M+HCOO]- 334.004331 176.8
[M+CH3COO]- 348.019981 175.7
[M+Na-2H]- 309.980796 166.7
[M]+ 289.00558142 167.5
[M]- 289.00667858 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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literature stripe

Patent stripe

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