CID 908584

(2z)-2-benzylidene-6-hydroxy-1-benzofuran-3(2h)-one

Structural Information

Molecular Formula
C15H10O3
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C15H10O3/c16-11-6-7-12-13(9-11)18-14(15(12)17)8-10-4-2-1-3-5-10/h1-9,16H/b14-8-
InChIKey
KDGIFQNPGMXJCY-ZSOIEALJSA-N
Compound name
(2Z)-2-benzylidene-6-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

238.06299 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 149.9
[M+Na]+ 261.05221 159.5
[M-H]- 237.05571 157.6
[M+NH4]+ 256.09681 168.6
[M+K]+ 277.02615 155.6
[M+H-H2O]+ 221.06025 143.9
[M+HCOO]- 283.06119 171.8
[M+CH3COO]- 297.07684 163.5
[M+Na-2H]- 259.03766 155.2
[M]+ 238.06244 150.3
[M]- 238.06354 150.3
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