CID 364369

Nsc630428

Structural Information

Molecular Formula
C13H10O3
SMILES
CC1(C2=C(C=CC3=CC=CC=C32)C(=O)O1)O
InChI
InChI=1S/C13H10O3/c1-13(15)11-9-5-3-2-4-8(9)6-7-10(11)12(14)16-13/h2-7,15H,1H3
InChIKey
OYDHBYOLYPZHND-UHFFFAOYSA-N
Compound name
1-hydroxy-1-methylbenzo[e][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.06299 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 142.4
[M+Na]+ 237.05221 153.7
[M-H]- 213.05571 148.4
[M+NH4]+ 232.09681 165.6
[M+K]+ 253.02615 150.7
[M+H-H2O]+ 197.06025 137.8
[M+HCOO]- 259.06119 163.2
[M+CH3COO]- 273.07684 156.9
[M+Na-2H]- 235.03766 150.7
[M]+ 214.06244 144.7
[M]- 214.06354 144.7
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.