CID 500472

Isoflavan

Structural Information

Molecular Formula
C15H14O
SMILES
C1C(COC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C15H14O/c1-2-6-12(7-3-1)14-10-13-8-4-5-9-15(13)16-11-14/h1-9,14H,10-11H2
InChIKey
NNQSGBRGJHSRFN-UHFFFAOYSA-N
Compound name
3-phenyl-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

1957
Patents

210.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 144.4
[M+Na]+ 233.09368 151.1
[M-H]- 209.09718 152.2
[M+NH4]+ 228.13828 162.5
[M+K]+ 249.06762 148.2
[M+H-H2O]+ 193.10172 137.0
[M+HCOO]- 255.10266 164.8
[M+CH3COO]- 269.11831 157.3
[M+Na-2H]- 231.07913 153.2
[M]+ 210.10391 142.1
[M]- 210.10501 142.1
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