CID 505820

169037-48-3

Structural Information

Molecular Formula
C15H6ClFN2O2
SMILES
C1=CC2=C(C=C1F)N=C3C(=O)C4=C(N3C2=O)C=CC(=C4)Cl
InChI
InChI=1S/C15H6ClFN2O2/c16-7-1-4-12-10(5-7)13(20)14-18-11-6-8(17)2-3-9(11)15(21)19(12)14/h1-6H
InChIKey
QUVVHRRCMVEHJM-UHFFFAOYSA-N
Compound name
8-chloro-3-fluoroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
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

literature stripe

Patent stripe

patents stripe