CID 76180

2902-64-9

Structural Information

Molecular Formula
C10H6O5
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)OC2=O
InChI
InChI=1S/C10H6O5/c1-14-8(11)5-2-3-6-7(4-5)10(13)15-9(6)12/h2-4H,1H3
InChIKey
JWKWYRVXHBOBRF-UHFFFAOYSA-N
Compound name
methyl 1,3-dioxo-2-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

206.02153 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02881 136.2
[M+Na]+ 229.01075 146.8
[M-H]- 205.01425 142.5
[M+NH4]+ 224.05535 157.1
[M+K]+ 244.98469 146.5
[M+H-H2O]+ 189.01879 131.7
[M+HCOO]- 251.01973 159.5
[M+CH3COO]- 265.03538 183.7
[M+Na-2H]- 226.99620 141.9
[M]+ 206.02098 140.9
[M]- 206.02208 140.9
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

patents stripe