CID 2129882

308295-39-8

Structural Information

Molecular Formula
C19H14BrNO7
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)C
InChI
InChI=1S/C19H14BrNO7/c1-3-26-19(23)17-10(2)27-15-9-14(20)16(8-13(15)17)28-18(22)11-4-6-12(7-5-11)21(24)25/h4-9H,3H2,1-2H3
InChIKey
IYIUNHJYGUQUKB-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-2-methyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.99536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.00264 193.2
[M+Na]+ 469.98458 197.1
[M+NH4]+ 465.02918 195.2
[M+K]+ 485.95852 201.8
[M-H]- 445.98808 196.0
[M+Na-2H]- 467.97003 194.1
[M]+ 446.99481 193.2
[M]- 446.99591 193.2
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

No patent data available for this compound.