CID 3068348

Fce 20881

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C2C(=C1)C(OC3=CC=CC=C23)CC(=O)O
InChI
InChI=1S/C15H12O3/c16-15(17)9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)18-14/h1-8,14H,9H2,(H,16,17)
InChIKey
RJFAXVGXCPTRGY-UHFFFAOYSA-N
Compound name
2-(6H-benzo[c]chromen-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 149.9
[M+Na]+ 263.06786 157.8
[M-H]- 239.07136 154.6
[M+NH4]+ 258.11246 167.4
[M+K]+ 279.04180 155.0
[M+H-H2O]+ 223.07590 143.2
[M+HCOO]- 285.07684 168.1
[M+CH3COO]- 299.09249 162.2
[M+Na-2H]- 261.05331 158.1
[M]+ 240.07809 150.5
[M]- 240.07919 150.5
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

patents stripe