CID 515665

Schembl6841888

Structural Information

Molecular Formula
C24H20Cl2O2
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C4=C3C=C(C=C4)C(=O)CCCCl)C(=O)CCCCl
InChI
InChI=1S/C24H20Cl2O2/c25-12-2-6-22(27)15-8-9-16-18-4-1-5-19-17(23(28)7-3-13-26)10-11-20(24(18)19)21(16)14-15/h1,4-5,8-11,14H,2-3,6-7,12-13H2
InChIKey
IBWNKMOXYIXMGI-UHFFFAOYSA-N
Compound name
4-chloro-1-[4-(4-chlorobutanoyl)fluoranthen-8-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

410.08405 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.09133 200.3
[M+Na]+ 433.07327 209.5
[M-H]- 409.07677 204.7
[M+NH4]+ 428.11787 217.4
[M+K]+ 449.04721 200.5
[M+H-H2O]+ 393.08131 194.1
[M+HCOO]- 455.08225 208.8
[M+CH3COO]- 469.09790 209.7
[M+Na-2H]- 431.05872 200.3
[M]+ 410.08350 209.3
[M]- 410.08460 209.3
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