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
1
Annotation Hits

77
References

5502
Patents

210.10446 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.