CID 43152227

3-[(4-fluorophenyl)methyl]-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole hydrochloride

Structural Information

Molecular Formula
C13H14FN3O
SMILES
C1CC(NC1)C2=NC(=NO2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C13H14FN3O/c14-10-5-3-9(4-6-10)8-12-16-13(18-17-12)11-2-1-7-15-11/h3-6,11,15H,1-2,7-8H2
InChIKey
IYILMVBHWCQFTO-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.11209 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11937 152.9
[M+Na]+ 270.10131 160.6
[M-H]- 246.10481 156.9
[M+NH4]+ 265.14591 167.3
[M+K]+ 286.07525 157.0
[M+H-H2O]+ 230.10935 143.0
[M+HCOO]- 292.11029 170.5
[M+CH3COO]- 306.12594 164.1
[M+Na-2H]- 268.08676 154.1
[M]+ 247.11154 149.4
[M]- 247.11264 149.4
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

No patent data available for this compound.