CID 5061996

3-amino-2-benzoyl-6-nitrobenzofuran

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=C(C=C3)[N+](=O)[O-])N
InChI
InChI=1S/C15H10N2O4/c16-13-11-7-6-10(17(19)20)8-12(11)21-15(13)14(18)9-4-2-1-3-5-9/h1-8H,16H2
InChIKey
VBCOORLNGQAWSF-UHFFFAOYSA-N
Compound name
(3-amino-6-nitro-1-benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 160.2
[M+Na]+ 305.05328 168.2
[M-H]- 281.05678 169.1
[M+NH4]+ 300.09788 175.8
[M+K]+ 321.02722 161.5
[M+H-H2O]+ 265.06132 157.4
[M+HCOO]- 327.06226 186.0
[M+CH3COO]- 341.07791 195.6
[M+Na-2H]- 303.03873 167.5
[M]+ 282.06351 160.9
[M]- 282.06461 160.9
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.