CID 12653455

5-fluoroadamantan-2-one

Structural Information

Molecular Formula
C10H13FO
SMILES
C1C2CC3CC(C2)(CC1C3=O)F
InChI
InChI=1S/C10H13FO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
InChIKey
ZBDVRJNXUKDRAZ-UHFFFAOYSA-N
Compound name
5-fluoroadamantan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.09505 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10233 136.4
[M+Na]+ 191.08427 140.9
[M-H]- 167.08777 131.4
[M+NH4]+ 186.12887 163.9
[M+K]+ 207.05821 137.6
[M+H-H2O]+ 151.09231 130.1
[M+HCOO]- 213.09325 143.9
[M+CH3COO]- 227.10890 146.5
[M+Na-2H]- 189.06972 147.5
[M]+ 168.09450 135.0
[M]- 168.09560 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe