CID 387176

123958-40-7

Structural Information

Molecular Formula
C13H10O4
SMILES
C1=CC2=C(C(=O)C=C1)C(=CC=C2)OCC(=O)O
InChI
InChI=1S/C13H10O4/c14-10-6-2-1-4-9-5-3-7-11(13(9)10)17-8-12(15)16/h1-7H,8H2,(H,15,16)
InChIKey
MMYVODITJBQRBR-UHFFFAOYSA-N
Compound name
2-(5-oxobenzo[7]annulen-4-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.065176 142.8
[M+Na]+ 253.047118 150.7
[M-H]- 229.050624 148.2
[M+NH4]+ 248.091723 160.3
[M+K]+ 269.021058 153.0
[M+H-H2O]+ 213.055160 138.7
[M+HCOO]- 275.056101 165.5
[M+CH3COO]- 289.071751 189.1
[M+Na-2H]- 251.032566 149.9
[M]+ 230.05735142 143.9
[M]- 230.05844858 143.9
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

No patent data available for this compound.