CID 386285

Nsc678042

Structural Information

Molecular Formula
C19H21FO2
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)F
InChI
InChI=1S/C19H21FO2/c20-15-3-1-14(2-4-15)16-17(22-16)18(21)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16-17H,5-10H2
InChIKey
LOXSRQRIHVXPKC-UHFFFAOYSA-N
Compound name
1-adamantyl-[3-(4-fluorophenyl)oxiran-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15256 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15984 163.4
[M+Na]+ 323.14178 167.7
[M-H]- 299.14528 164.6
[M+NH4]+ 318.18638 178.7
[M+K]+ 339.11572 164.2
[M+H-H2O]+ 283.14982 153.3
[M+HCOO]- 345.15076 166.8
[M+CH3COO]- 359.16641 171.0
[M+Na-2H]- 321.12723 171.0
[M]+ 300.15201 165.1
[M]- 300.15311 165.1
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.