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

3
Patents

240.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 151.0
[M+Na]+ 263.06786 160.1
[M-H]- 239.07136 156.1
[M+NH4]+ 258.11246 170.6
[M+K]+ 279.04180 157.4
[M+H-H2O]+ 223.07590 144.6
[M+HCOO]- 285.07684 169.1
[M+CH3COO]- 299.09249 163.8
[M+Na-2H]- 261.05331 160.1
[M]+ 240.07809 152.0
[M]- 240.07919 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