CID 2737276

1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanone

Structural Information

Molecular Formula
C15H13FO2
SMILES
CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKey
MQJDMMIBGFVIDR-UHFFFAOYSA-N
Compound name
1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

244.08995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09723 152.5
[M+Na]+ 267.07917 160.5
[M-H]- 243.08267 158.1
[M+NH4]+ 262.12377 169.8
[M+K]+ 283.05311 157.0
[M+H-H2O]+ 227.08721 144.2
[M+HCOO]- 289.08815 175.1
[M+CH3COO]- 303.10380 194.0
[M+Na-2H]- 265.06462 156.8
[M]+ 244.08940 153.1
[M]- 244.09050 153.1
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