CID 2794755

5-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride

Structural Information

Molecular Formula
C12H13FN2O
SMILES
C1CNCCC1C2=NOC3=C2C=C(C=C3)F
InChI
InChI=1S/C12H13FN2O/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey
GGRZCCWFABLKCX-UHFFFAOYSA-N
Compound name
5-fluoro-3-piperidin-4-yl-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

220.1012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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