CID 16043328

Chembl241807

Structural Information

Molecular Formula
C17H14O2
SMILES
CC1(C=CC2=C(O1)C=CC3=C2C4=CC=CC=C4O3)C
InChI
InChI=1S/C17H14O2/c1-17(2)10-9-12-14(19-17)7-8-15-16(12)11-5-3-4-6-13(11)18-15/h3-10H,1-2H3
InChIKey
IWBVETVKZNHKQJ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-[1]benzofuro[3,2-f]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

250.09938 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 153.6
[M+Na]+ 273.08860 165.9
[M-H]- 249.09210 162.5
[M+NH4]+ 268.13320 175.7
[M+K]+ 289.06254 163.1
[M+H-H2O]+ 233.09664 147.4
[M+HCOO]- 295.09758 174.2
[M+CH3COO]- 309.11323 168.2
[M+Na-2H]- 271.07405 163.7
[M]+ 250.09883 158.8
[M]- 250.09993 158.8
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