CID 43793509

4-ethoxy-1-(4-fluorophenyl)butan-1-one

Structural Information

Molecular Formula
C12H15FO2
SMILES
CCOCCCC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C12H15FO2/c1-2-15-9-3-4-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3
InChIKey
SGWVEUQFTIBIPG-UHFFFAOYSA-N
Compound name
4-ethoxy-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.1056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11288 145.5
[M+Na]+ 233.09482 152.6
[M-H]- 209.09832 147.5
[M+NH4]+ 228.13942 164.4
[M+K]+ 249.06876 150.4
[M+H-H2O]+ 193.10286 138.4
[M+HCOO]- 255.10380 167.7
[M+CH3COO]- 269.11945 188.2
[M+Na-2H]- 231.08027 149.5
[M]+ 210.10505 147.3
[M]- 210.10615 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe