CID 395148

Nsc699448

Structural Information

Molecular Formula
C22H15ClO5
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H15ClO5/c1-26-17-10-11-18-19(12-17)28-22(25)21(27-16-8-4-14(23)5-9-16)20(18)13-2-6-15(24)7-3-13/h2-12,24H,1H3
InChIKey
UQGFXRSDFDICDR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.0608 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06808 190.2
[M+Na]+ 417.05002 201.5
[M-H]- 393.05352 201.3
[M+NH4]+ 412.09462 201.4
[M+K]+ 433.02396 196.8
[M+H-H2O]+ 377.05806 180.9
[M+HCOO]- 439.05900 206.7
[M+CH3COO]- 453.07465 201.7
[M+Na-2H]- 415.03547 194.8
[M]+ 394.06025 198.0
[M]- 394.06135 198.0
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