CID 51576

Acifran

Structural Information

Molecular Formula
C12H10O4
SMILES
CC1(C(=O)C=C(O1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
DFDGRKNOFOJBAJ-UHFFFAOYSA-N
Compound name
5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

3902
Patents

218.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 143.4
[M+Na]+ 241.04712 152.4
[M-H]- 217.05062 150.4
[M+NH4]+ 236.09172 163.6
[M+K]+ 257.02106 151.2
[M+H-H2O]+ 201.05516 138.5
[M+HCOO]- 263.05610 165.8
[M+CH3COO]- 277.07175 183.0
[M+Na-2H]- 239.03257 148.5
[M]+ 218.05735 144.9
[M]- 218.05845 144.9
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

patents stripe