CID 500312

Carbon monoxide; cobaltiocobalt; 1-(4-fluorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol

Structural Information

Molecular Formula
C20H22FNO
SMILES
C1CCN(C1)C[CH][CH]C(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C20H22FNO/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22/h1-3,6-13,23H,4-5,14-16H2
InChIKey
VAXACHFJEXRUKE-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.16855 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17583 175.4
[M+Na]+ 334.15777 179.5
[M-H]- 310.16127 180.0
[M+NH4]+ 329.20237 189.0
[M+K]+ 350.13171 173.6
[M+H-H2O]+ 294.16581 165.7
[M+HCOO]- 356.16675 191.8
[M+CH3COO]- 370.18240 202.6
[M+Na-2H]- 332.14322 177.0
[M]+ 311.16800 170.7
[M]- 311.16910 170.7
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.