CID 515664

Schembl11751569

Structural Information

Molecular Formula
C20H12Cl2O2
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C4=C3C=C(C=C4)C(=O)CCl)C(=O)CCl
InChI
InChI=1S/C20H12Cl2O2/c21-9-18(23)11-4-5-12-14-2-1-3-15-13(19(24)10-22)6-7-16(20(14)15)17(12)8-11/h1-8H,9-10H2
InChIKey
UQFQUCFRUMEVNZ-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(2-chloroacetyl)fluoranthen-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

354.02142 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02870 181.1
[M+Na]+ 377.01064 192.2
[M-H]- 353.01414 186.4
[M+NH4]+ 372.05524 200.6
[M+K]+ 392.98458 184.1
[M+H-H2O]+ 337.01868 175.9
[M+HCOO]- 399.01962 191.2
[M+CH3COO]- 413.03527 192.4
[M+Na-2H]- 374.99609 183.5
[M]+ 354.02087 189.0
[M]- 354.02197 189.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe