CID 324872

62442-57-3

Structural Information

Molecular Formula
C15H13ClO3
SMILES
CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CCl)C
InChI
InChI=1S/C15H13ClO3/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5H,6H2,1-3H3
InChIKey
DKFOVSBANNNBPG-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

276.05533 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 159.0
[M+Na]+ 299.04455 174.3
[M-H]- 275.04805 167.7
[M+NH4]+ 294.08915 178.9
[M+K]+ 315.01849 170.8
[M+H-H2O]+ 259.05259 154.7
[M+HCOO]- 321.05353 177.6
[M+CH3COO]- 335.06918 174.4
[M+Na-2H]- 297.03000 165.1
[M]+ 276.05478 170.1
[M]- 276.05588 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe