CID 6448506

Brn 5446751

Structural Information

Molecular Formula
C18H11NO5
SMILES
C1=CC=C(C=C1)C2=CC(=O)/C(=C\C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/O2
InChI
InChI=1S/C18H11NO5/c20-15(12-6-8-14(9-7-12)19(22)23)10-18-16(21)11-17(24-18)13-4-2-1-3-5-13/h1-11H/b18-10+
InChIKey
FHQJHNZDVUVUMV-VCHYOVAHSA-N
Compound name
(2E)-2-[2-(4-nitrophenyl)-2-oxoethylidene]-5-phenylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.06372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07100 173.4
[M+Na]+ 344.05294 179.4
[M-H]- 320.05644 184.1
[M+NH4]+ 339.09754 186.2
[M+K]+ 360.02688 172.3
[M+H-H2O]+ 304.06098 169.7
[M+HCOO]- 366.06192 197.1
[M+CH3COO]- 380.07757 199.0
[M+Na-2H]- 342.03839 177.0
[M]+ 321.06317 172.4
[M]- 321.06427 172.4
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.