CID 43119

Brn 2848796

Structural Information

Molecular Formula
C16H20FNO
SMILES
C=CCN(CCCC(=O)C1=CC=C(C=C1)F)CC=C
InChI
InChI=1S/C16H20FNO/c1-3-11-18(12-4-2)13-5-6-16(19)14-7-9-15(17)10-8-14/h3-4,7-10H,1-2,5-6,11-13H2
InChIKey
SUMLUORDKGEKNC-UHFFFAOYSA-N
Compound name
4-[bis(prop-2-enyl)amino]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1529 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16018 162.3
[M+Na]+ 284.14212 167.6
[M-H]- 260.14562 165.0
[M+NH4]+ 279.18672 179.2
[M+K]+ 300.11606 164.0
[M+H-H2O]+ 244.15016 154.1
[M+HCOO]- 306.15110 184.8
[M+CH3COO]- 320.16675 204.9
[M+Na-2H]- 282.12757 163.7
[M]+ 261.15235 163.2
[M]- 261.15345 163.2
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.