CID 500460

3(2h)-isoflavene

Structural Information

Molecular Formula
C15H12O
SMILES
C1C(=CC2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C15H12O/c1-2-6-12(7-3-1)14-10-13-8-4-5-9-15(13)16-11-14/h1-10H,11H2
InChIKey
CNNBJLXLTIKXGJ-UHFFFAOYSA-N
Compound name
3-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

467
Patents

208.08882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 143.2
[M+Na]+ 231.07804 151.0
[M-H]- 207.08154 151.3
[M+NH4]+ 226.12264 161.5
[M+K]+ 247.05198 147.9
[M+H-H2O]+ 191.08608 135.8
[M+HCOO]- 253.08702 165.0
[M+CH3COO]- 267.10267 156.6
[M+Na-2H]- 229.06349 153.0
[M]+ 208.08827 142.3
[M]- 208.08937 142.3
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