CID 5272646

2-[4-(6-chloro-2h-chromen-3-yl)phenyl]-4,5-dihydrooxazole

Structural Information

Molecular Formula
C18H14ClNO2
SMILES
C1COC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=CC(=C4)Cl)OC3
InChI
InChI=1S/C18H14ClNO2/c19-16-5-6-17-14(10-16)9-15(11-22-17)12-1-3-13(4-2-12)18-20-7-8-21-18/h1-6,9-10H,7-8,11H2
InChIKey
DUSIULUYCVQXAS-UHFFFAOYSA-N
Compound name
2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07132 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07860 171.4
[M+Na]+ 334.06054 180.6
[M-H]- 310.06404 181.7
[M+NH4]+ 329.10514 185.3
[M+K]+ 350.03448 176.5
[M+H-H2O]+ 294.06858 162.9
[M+HCOO]- 356.06952 185.8
[M+CH3COO]- 370.08517 183.2
[M+Na-2H]- 332.04599 175.7
[M]+ 311.07077 173.7
[M]- 311.07187 173.7
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

No patent data available for this compound.