CID 1631817

7-[(2,4-dichlorobenzyl)oxy]-4-propyl-2h-chromen-2-one

Structural Information

Molecular Formula
C19H16Cl2O3
SMILES
CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H16Cl2O3/c1-2-3-12-8-19(22)24-18-10-15(6-7-16(12)18)23-11-13-4-5-14(20)9-17(13)21/h4-10H,2-3,11H2,1H3
InChIKey
XMYLJFPIJMHAAP-UHFFFAOYSA-N
Compound name
7-[(2,4-dichlorophenyl)methoxy]-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.04764 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05492 180.6
[M+Na]+ 385.03686 192.3
[M-H]- 361.04036 188.7
[M+NH4]+ 380.08146 195.0
[M+K]+ 401.01080 186.4
[M+H-H2O]+ 345.04490 173.6
[M+HCOO]- 407.04584 193.1
[M+CH3COO]- 421.06149 192.5
[M+Na-2H]- 383.02231 184.7
[M]+ 362.04709 189.8
[M]- 362.04819 189.8
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.