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]+ 283.071336 160.2
[M+Na]+ 305.053278 168.2
[M-H]- 281.056784 169.1
[M+NH4]+ 300.097883 175.8
[M+K]+ 321.027218 161.5
[M+H-H2O]+ 265.061320 157.4
[M+HCOO]- 327.062261 186.0
[M+CH3COO]- 341.077911 195.6
[M+Na-2H]- 303.038726 167.5
[M]+ 282.06351142 160.9
[M]- 282.06460858 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.