CID 3068345

Fce 20562

Structural Information

Molecular Formula
C15H12O3
SMILES
CC1(C2=CC=CC=C2C3=CC=CC=C3O1)C(=O)O
InChI
InChI=1S/C15H12O3/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)18-15/h2-9H,1H3,(H,16,17)
InChIKey
FDLSYTBZTBKFRS-UHFFFAOYSA-N
Compound name
6-methylbenzo[c]chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 151.0
[M+Na]+ 263.067858 160.1
[M-H]- 239.071364 156.1
[M+NH4]+ 258.112463 170.6
[M+K]+ 279.041798 157.4
[M+H-H2O]+ 223.075900 144.6
[M+HCOO]- 285.076841 169.1
[M+CH3COO]- 299.092491 163.8
[M+Na-2H]- 261.053306 160.1
[M]+ 240.07809142 152.0
[M]- 240.07918858 152.0
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