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

literature stripe

Patent stripe

patents stripe