CID 505797

Schembl4585259

Structural Information

Molecular Formula
C15H5Br2FN2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=NC4=C(C(=C(C=C4Br)Br)F)C(=O)N23
InChI
InChI=1S/C15H5Br2FN2O2/c16-7-5-8(17)12-10(11(7)18)15(22)20-9-4-2-1-3-6(9)13(21)14(20)19-12/h1-5H
InChIKey
VVGJLMXSMBVUHD-UHFFFAOYSA-N
Compound name
2,4-dibromo-1-fluoroindolo[2,1-b]quinazoline-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

421.87018 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.87746 167.2
[M+Na]+ 444.85940 181.7
[M-H]- 420.86290 174.3
[M+NH4]+ 439.90400 184.7
[M+K]+ 460.83334 166.5
[M+H-H2O]+ 404.86744 174.7
[M+HCOO]- 466.86838 180.0
[M+CH3COO]- 480.88403 180.5
[M+Na-2H]- 442.84485 172.9
[M]+ 421.86963 203.2
[M]- 421.87073 203.2
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