CID 505795

Schembl4585178

Structural Information

Molecular Formula
C15H4Br2FIN2O2
SMILES
C1=CC2=C(C=C1I)C(=O)C3=NC4=C(C(=C(C=C4Br)Br)F)C(=O)N23
InChI
InChI=1S/C15H4Br2FIN2O2/c16-7-4-8(17)12-10(11(7)18)15(23)21-9-2-1-5(19)3-6(9)13(22)14(21)20-12/h1-4H
InChIKey
RCYBDSGRXSXIQB-UHFFFAOYSA-N
Compound name
2,4-dibromo-1-fluoro-8-iodoindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

547.76685 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.77413 166.4
[M+Na]+ 570.75607 175.3
[M-H]- 546.75957 167.8
[M+NH4]+ 565.80067 179.5
[M+K]+ 586.73001 165.3
[M+H-H2O]+ 530.76411 170.5
[M+HCOO]- 592.76505 175.5
[M+CH3COO]- 606.78070 176.3
[M+Na-2H]- 568.74152 163.5
[M]+ 547.76630 198.5
[M]- 547.76740 198.5
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