CID 23014361

335079-99-7

Structural Information

Molecular Formula

C₁₂H₁₃FN₂O

SMILES

C1CNCCC1C2=NC3=C(O2)C=C(C=C3)F

InChI

InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2

InChIKey

YAAVWFANPKDIGK-UHFFFAOYSA-N

Compound name

6-fluoro-2-piperidin-4-yl-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 220.1012 Da
Monoisotopic Mass: 2.0
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]+	221.108476	145.6
[M+Na]+	243.090418	154.1
[M-H]-	219.093924	148.4
[M+NH4]+	238.135023	162.0
[M+K]+	259.064358	150.2
[M+H-H2O]+	203.098460	136.8
[M+HCOO]-	265.099401	162.5
[M+CH3COO]-	279.115051	157.4
[M+Na-2H]-	241.075866	151.0
[M]+	220.10065142	141.6
[M]-	220.10174858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe