CID 139672175

4-(propan-2-yloxy)-1,3-dihydro-2-benzofuran-1,3-dione

Structural Information

Molecular Formula
C11H10O4
SMILES
CC(C)OC1=CC=CC2=C1C(=O)OC2=O
InChI
InChI=1S/C11H10O4/c1-6(2)14-8-5-3-4-7-9(8)11(13)15-10(7)12/h3-6H,1-2H3
InChIKey
DLQRLTGJKHBSHA-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.7
[M+Na]+ 229.04712 149.5
[M-H]- 205.05062 145.6
[M+NH4]+ 224.09172 160.6
[M+K]+ 245.02106 149.1
[M+H-H2O]+ 189.05516 134.9
[M+HCOO]- 251.05610 162.1
[M+CH3COO]- 265.07175 186.0
[M+Na-2H]- 227.03257 144.5
[M]+ 206.05735 144.0
[M]- 206.05845 144.0
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

patents stripe