CID 34525

4'-fluoro-2-morpholinomethyl-5-hexynophenone hydrochloride

Structural Information

Molecular Formula
C17H20FNO2
SMILES
C#CCCC(CN1CCOCC1)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H20FNO2/c1-2-3-4-15(13-19-9-11-21-12-10-19)17(20)14-5-7-16(18)8-6-14/h1,5-8,15H,3-4,9-13H2
InChIKey
FTNUSONXKVPXKD-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-(morpholin-4-ylmethyl)hex-5-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15508 164.2
[M+Na]+ 312.13702 170.3
[M-H]- 288.14052 164.8
[M+NH4]+ 307.18162 174.5
[M+K]+ 328.11096 165.4
[M+H-H2O]+ 272.14506 148.6
[M+HCOO]- 334.14600 173.6
[M+CH3COO]- 348.16165 207.7
[M+Na-2H]- 310.12247 164.2
[M]+ 289.14725 155.3
[M]- 289.14835 155.3
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

No patent data available for this compound.