CID 64433

62087-82-5

Structural Information

Molecular Formula

C₁₁H₁₅FO₂

SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)F

InChI

InChI=1S/C11H15FO2/c12-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2

InChIKey

PNLZKVOKOVFGMZ-UHFFFAOYSA-N

Compound name

1-adamantyl carbonofluoridate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 221
Patents: 198.1056 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.11288	144.4
[M+Na]+	221.09482	147.2
[M-H]-	197.09832	138.8
[M+NH4]+	216.13942	170.4
[M+K]+	237.06876	144.7
[M+H-H2O]+	181.10286	137.9
[M+HCOO]-	243.10380	150.7
[M+CH3COO]-	257.11945	153.4
[M+Na-2H]-	219.08027	154.6
[M]+	198.10505	143.8
[M]-	198.10615	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe