CID 3003826

Nsc102066

Structural Information

Molecular Formula
C16H10O3
SMILES
C1C2=CC=CC=C2/C(=C\3/C4=CC=CC=C4C(=O)O3)/O1
InChI
InChI=1S/C16H10O3/c17-16-13-8-4-3-7-12(13)15(19-16)14-11-6-2-1-5-10(11)9-18-14/h1-8H,9H2/b15-14+
InChIKey
NAOOKLIOKRXGNZ-CCEZHUSRSA-N
Compound name
(3E)-3-(3H-2-benzofuran-1-ylidene)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.06299 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07027 152.1
[M+Na]+ 273.05221 162.1
[M-H]- 249.05571 162.7
[M+NH4]+ 268.09681 172.3
[M+K]+ 289.02615 159.5
[M+H-H2O]+ 233.06025 147.4
[M+HCOO]- 295.06119 173.3
[M+CH3COO]- 309.07684 166.3
[M+Na-2H]- 271.03766 156.7
[M]+ 250.06244 153.5
[M]- 250.06354 153.5
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.