CID 142465

40515-89-7

Structural Information

Molecular Formula
C14H14O
SMILES
C1=CC=C(C=C1)CCOC2=CC=CC=C2
InChI
InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
JKSGBCQEHZWHHL-UHFFFAOYSA-N
Compound name
2-phenoxyethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

847
Patents

198.10446 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11174 143.1
[M+Na]+ 221.09368 149.7
[M-H]- 197.09718 149.4
[M+NH4]+ 216.13828 161.9
[M+K]+ 237.06762 146.3
[M+H-H2O]+ 181.10172 135.8
[M+HCOO]- 243.10266 167.7
[M+CH3COO]- 257.11831 184.2
[M+Na-2H]- 219.07913 151.2
[M]+ 198.10391 143.5
[M]- 198.10501 143.5
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