CID 2741305

4-phenyloxan-4-ol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1COCCC1(C2=CC=CC=C2)O
InChI
InChI=1S/C11H14O2/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
SFZFKBASNCZZMV-UHFFFAOYSA-N
Compound name
4-phenyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

178.09938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 138.1
[M+Na]+ 201.088598 143.6
[M-H]- 177.092104 143.6
[M+NH4]+ 196.133203 157.6
[M+K]+ 217.062538 142.5
[M+H-H2O]+ 161.096640 132.0
[M+HCOO]- 223.097581 157.3
[M+CH3COO]- 237.113231 175.0
[M+Na-2H]- 199.074046 146.3
[M]+ 178.09883142 133.8
[M]- 178.09992858 133.8
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