CID 5272802

6-chloro-2-[4-(4,5-dihydrooxazol-2-yl)phenyl]chromen-4-one

Structural Information

Molecular Formula
C18H12ClNO3
SMILES
C1COC(=N1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C18H12ClNO3/c19-13-5-6-16-14(9-13)15(21)10-17(23-16)11-1-3-12(4-2-11)18-20-7-8-22-18/h1-6,9-10H,7-8H2
InChIKey
YLWBOSLLEVRESM-UHFFFAOYSA-N
Compound name
6-chloro-2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.05057 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05785 173.3
[M+Na]+ 348.03979 184.7
[M-H]- 324.04329 184.6
[M+NH4]+ 343.08439 187.0
[M+K]+ 364.01373 180.5
[M+H-H2O]+ 308.04783 165.1
[M+HCOO]- 370.04877 189.5
[M+CH3COO]- 384.06442 186.0
[M+Na-2H]- 346.02524 178.0
[M]+ 325.05002 178.4
[M]- 325.05112 178.4
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

No patent data available for this compound.