CID 3361709

351003-26-4

Structural Information

Molecular Formula
C15H9BrN2O4
SMILES
C1=CC(=CC=C1C(=O)C2=C(C3=C(O2)C=C(C=C3)[N+](=O)[O-])N)Br
InChI
InChI=1S/C15H9BrN2O4/c16-9-3-1-8(2-4-9)14(19)15-13(17)11-6-5-10(18(20)21)7-12(11)22-15/h1-7H,17H2
InChIKey
RNOBWEKCGACXCG-UHFFFAOYSA-N
Compound name
(3-amino-6-nitro-1-benzofuran-2-yl)-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.97458 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.98186 176.5
[M+Na]+ 382.96380 187.4
[M-H]- 358.96730 187.5
[M+NH4]+ 378.00840 192.8
[M+K]+ 398.93774 173.0
[M+H-H2O]+ 342.97184 178.8
[M+HCOO]- 404.97278 199.2
[M+CH3COO]- 418.98843 205.7
[M+Na-2H]- 380.94925 183.1
[M]+ 359.97403 196.3
[M]- 359.97513 196.3
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

No patent data available for this compound.