CID 362062

Nsc625584

Structural Information

Molecular Formula
C24H14Cl2O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H14Cl2O2/c25-18-10-6-16(7-11-18)24(17-8-12-19(26)13-9-17)22-20-4-2-1-3-15(20)5-14-21(22)23(27)28-24/h1-14H
InChIKey
LKKCVYQQCACLJG-UHFFFAOYSA-N
Compound name
1,1-bis(4-chlorophenyl)benzo[e][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.03708 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04436 196.7
[M+Na]+ 427.02630 209.1
[M-H]- 403.02980 208.6
[M+NH4]+ 422.07090 213.2
[M+K]+ 443.00024 201.0
[M+H-H2O]+ 387.03434 188.2
[M+HCOO]- 449.03528 207.5
[M+CH3COO]- 463.05093 207.8
[M+Na-2H]- 425.01175 199.4
[M]+ 404.03653 202.1
[M]- 404.03763 202.1
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.