CID 98303

(1-phenoxyethyl)benzene

Structural Information

Molecular Formula
C14H14O
SMILES
CC(C1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C14H14O/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
MMDVBQJVKNNYLU-UHFFFAOYSA-N
Compound name
1-phenoxyethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

198.10446 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.111736 143.4
[M+Na]+ 221.093678 149.8
[M-H]- 197.097184 149.9
[M+NH4]+ 216.138283 162.2
[M+K]+ 237.067618 146.9
[M+H-H2O]+ 181.101720 136.2
[M+HCOO]- 243.102661 167.1
[M+CH3COO]- 257.118311 185.0
[M+Na-2H]- 219.079126 150.4
[M]+ 198.10391142 143.3
[M]- 198.10500858 143.3
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.