CID 170904

50789-44-1

Structural Information

Molecular Formula
C15H14O3
SMILES
CC(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C15H14O3/c1-12(16)17-11-13-6-5-9-15(10-13)18-14-7-3-2-4-8-14/h2-10H,11H2,1H3
InChIKey
XPHQNMNGUGOWGU-UHFFFAOYSA-N
Compound name
(3-phenoxyphenyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

242.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.5
[M+Na]+ 265.08352 160.5
[M-H]- 241.08702 160.2
[M+NH4]+ 260.12812 170.6
[M+K]+ 281.05746 158.0
[M+H-H2O]+ 225.09156 145.8
[M+HCOO]- 287.09250 177.4
[M+CH3COO]- 301.10815 191.6
[M+Na-2H]- 263.06897 159.1
[M]+ 242.09375 156.1
[M]- 242.09485 156.1
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