CID 17933619

6-fluoro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1,2-benzisoxazole

Structural Information

Molecular Formula
C12H11FN2O
SMILES
C1CNCC=C1C2=NOC3=C2C=CC(=C3)F
InChI
InChI=1S/C12H11FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-3,7,14H,4-6H2
InChIKey
ZZLMLXFJZMDQIF-UHFFFAOYSA-N
Compound name
6-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.08554 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09282 144.0
[M+Na]+ 241.07476 153.6
[M-H]- 217.07826 147.3
[M+NH4]+ 236.11936 160.6
[M+K]+ 257.04870 149.5
[M+H-H2O]+ 201.08280 135.3
[M+HCOO]- 263.08374 162.4
[M+CH3COO]- 277.09939 156.5
[M+Na-2H]- 239.06021 150.5
[M]+ 218.08499 141.6
[M]- 218.08609 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

No literature data available for this compound.

Patent stripe

patents stripe