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]+ 241.085916 149.9
[M+Na]+ 263.067858 157.8
[M-H]- 239.071364 154.6
[M+NH4]+ 258.112463 167.4
[M+K]+ 279.041798 155.0
[M+H-H2O]+ 223.075900 143.2
[M+HCOO]- 285.076841 168.1
[M+CH3COO]- 299.092491 162.2
[M+Na-2H]- 261.053306 158.1
[M]+ 240.07809142 150.5
[M]- 240.07918858 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