CID 3053077

10-undecynophenone, 11-dimethylamino-4'-fluoro-

Structural Information

Molecular Formula
C19H26FNO
SMILES
CN(C)C#CCCCCCCCCC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C19H26FNO/c1-21(2)16-10-8-6-4-3-5-7-9-11-19(22)17-12-14-18(20)15-13-17/h12-15H,3-9,11H2,1-2H3
InChIKey
IMHCVVBAIBQFSR-UHFFFAOYSA-N
Compound name
11-(dimethylamino)-1-(4-fluorophenyl)undec-10-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19983 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20711 173.6
[M+Na]+ 326.18905 180.0
[M-H]- 302.19255 174.3
[M+NH4]+ 321.23365 187.2
[M+K]+ 342.16299 175.0
[M+H-H2O]+ 286.19709 159.1
[M+HCOO]- 348.19803 189.2
[M+CH3COO]- 362.21368 217.4
[M+Na-2H]- 324.17450 172.9
[M]+ 303.19928 170.3
[M]- 303.20038 170.3
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.