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

19
Patents

218.08554 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.092816 144.0
[M+Na]+ 241.074758 153.6
[M-H]- 217.078264 147.3
[M+NH4]+ 236.119363 160.6
[M+K]+ 257.048698 149.5
[M+H-H2O]+ 201.082800 135.3
[M+HCOO]- 263.083741 162.4
[M+CH3COO]- 277.099391 156.5
[M+Na-2H]- 239.060206 150.5
[M]+ 218.08499142 141.6
[M]- 218.08608858 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