CID 395146

Nsc699446

Structural Information

Molecular Formula
C21H13ClO4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H13ClO4/c22-14-7-11-16(12-8-14)25-20-19(13-5-9-15(23)10-6-13)17-3-1-2-4-18(17)26-21(20)24/h1-12,23H
InChIKey
YPGNQFNOZULWTR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-4-(4-hydroxyphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

364.05023 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05751 182.5
[M+Na]+ 387.03945 193.7
[M-H]- 363.04295 193.4
[M+NH4]+ 382.08405 194.8
[M+K]+ 403.01339 188.2
[M+H-H2O]+ 347.04749 173.6
[M+HCOO]- 409.04843 199.3
[M+CH3COO]- 423.06408 194.3
[M+Na-2H]- 385.02490 188.2
[M]+ 364.04968 188.2
[M]- 364.05078 188.2
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