CID 94156

Flavan

Structural Information

Molecular Formula
C15H14O
SMILES
C1CC2=CC=CC=C2OC1C3=CC=CC=C3
InChI
InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2
InChIKey
QOLIPNRNLBQTAU-UHFFFAOYSA-N
Compound name
2-phenyl-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

77
References

5528
Patents

210.10446 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.111736 144.4
[M+Na]+ 233.093678 151.1
[M-H]- 209.097184 152.2
[M+NH4]+ 228.138283 162.5
[M+K]+ 249.067618 148.2
[M+H-H2O]+ 193.101720 137.0
[M+HCOO]- 255.102661 164.8
[M+CH3COO]- 269.118311 157.3
[M+Na-2H]- 231.079126 153.2
[M]+ 210.10391142 142.1
[M]- 210.10500858 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