CID 478569

2-chloro-8-fluoroindolo[2,1-b]quinazoline-6,12-dione

Structural Information

Molecular Formula
C15H6ClFN2O2
SMILES
C1=CC2=C(C=C1F)C(=O)C3=NC4=C(C=C(C=C4)Cl)C(=O)N23
InChI
InChI=1S/C15H6ClFN2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
InChIKey
LAZZRPPRVLUFTH-UHFFFAOYSA-N
Compound name
2-chloro-8-fluoroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.0102 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.01748 163.0
[M+Na]+ 322.99942 178.4
[M-H]- 299.00292 166.9
[M+NH4]+ 318.04402 182.0
[M+K]+ 338.97336 170.6
[M+H-H2O]+ 283.00746 154.9
[M+HCOO]- 345.00840 177.9
[M+CH3COO]- 359.02405 176.1
[M+Na-2H]- 320.98487 168.5
[M]+ 300.00965 167.9
[M]- 300.01075 167.9
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