CID 381597

Nsc668406

Structural Information

Molecular Formula
C30H16Cl2O4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=C(OC5=C(C4=O)C=C(C=C5)Cl)C6=CC=CC=C6
InChI
InChI=1S/C30H16Cl2O4/c31-19-11-13-23-21(15-19)27(33)25(29(35-23)17-7-3-1-4-8-17)26-28(34)22-16-20(32)12-14-24(22)36-30(26)18-9-5-2-6-10-18/h1-16H
InChIKey
AGUQXNILTYKIAN-UHFFFAOYSA-N
Compound name
6-chloro-3-(6-chloro-4-oxo-2-phenylchromen-3-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.04257 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.04985 225.8
[M+Na]+ 533.03179 239.6
[M-H]- 509.03529 241.2
[M+NH4]+ 528.07639 232.5
[M+K]+ 549.00573 233.7
[M+H-H2O]+ 493.03983 213.3
[M+HCOO]- 555.04077 236.2
[M+CH3COO]- 569.05642 235.4
[M+Na-2H]- 531.01724 229.0
[M]+ 510.04202 235.7
[M]- 510.04312 235.7
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.