CID 271244

Nsc114690

Structural Information

Molecular Formula
C13H7Br3N2O
SMILES
C1=CC2=C(C=C1Br)C(=O)NC3=C(C(=C(C=C23)Br)N)Br
InChI
InChI=1S/C13H7Br3N2O/c14-5-1-2-6-7-4-9(15)11(17)10(16)12(7)18-13(19)8(6)3-5/h1-4H,17H2,(H,18,19)
InChIKey
KUBMZWHQBDWVTI-UHFFFAOYSA-N
Compound name
3-amino-2,4,8-tribromo-5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.81085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.81813 150.5
[M+Na]+ 466.80007 158.7
[M-H]- 442.80357 155.5
[M+NH4]+ 461.84467 163.2
[M+K]+ 482.77401 143.5
[M+H-H2O]+ 426.80811 164.5
[M+HCOO]- 488.80905 159.2
[M+CH3COO]- 502.82470 160.8
[M+Na-2H]- 464.78552 156.2
[M]+ 443.81030 191.0
[M]- 443.81140 191.0
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

No patent data available for this compound.