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]+ 231.06518 142.8
[M+Na]+ 253.04712 150.7
[M-H]- 229.05062 148.2
[M+NH4]+ 248.09172 160.3
[M+K]+ 269.02106 153.0
[M+H-H2O]+ 213.05516 138.7
[M+HCOO]- 275.05610 165.5
[M+CH3COO]- 289.07175 189.1
[M+Na-2H]- 251.03257 149.9
[M]+ 230.05735 143.9
[M]- 230.05845 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.