CID 506534

2-methyl-4-(4-nitrophenyl)-2h-furan-5-one

Structural Information

Molecular Formula
C11H9NO4
SMILES
CC1C=C(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO4/c1-7-6-10(11(13)16-7)8-2-4-9(5-3-8)12(14)15/h2-7H,1H3
InChIKey
LSCFWBFSDFFJCG-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-nitrophenyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.05316 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 144.8
[M+Na]+ 242.04238 153.0
[M-H]- 218.04588 153.0
[M+NH4]+ 237.08698 162.9
[M+K]+ 258.01632 147.8
[M+H-H2O]+ 202.05042 143.4
[M+HCOO]- 264.05136 170.2
[M+CH3COO]- 278.06701 181.3
[M+Na-2H]- 240.02783 151.2
[M]+ 219.05261 144.8
[M]- 219.05371 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.