CID 2737490

37989-92-7

Structural Information

Molecular Formula
C15H13FO
SMILES
CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F
InChI
InChI=1S/C15H13FO/c1-2-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
InChIKey
ZXIQZWXVSBJPTC-UHFFFAOYSA-N
Compound name
1-[4-(2-fluorophenyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

228.09505 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10233 148.9
[M+Na]+ 251.08427 157.0
[M-H]- 227.08777 154.5
[M+NH4]+ 246.12887 166.9
[M+K]+ 267.05821 152.9
[M+H-H2O]+ 211.09231 140.9
[M+HCOO]- 273.09325 171.3
[M+CH3COO]- 287.10890 192.0
[M+Na-2H]- 249.06972 153.2
[M]+ 228.09450 148.1
[M]- 228.09560 148.1
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