CID 3004964

Nsc665684

Structural Information

Molecular Formula
C14H14FNO2
SMILES
C1CN\2CCC1C(=O)/C2=C\OC3=CC=C(C=C3)F
InChI
InChI=1S/C14H14FNO2/c15-11-1-3-12(4-2-11)18-9-13-14(17)10-5-7-16(13)8-6-10/h1-4,9-10H,5-8H2/b13-9+
InChIKey
ZVYIHCRICITZFO-UKTHLTGXSA-N
Compound name
(2E)-2-[(4-fluorophenoxy)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10086 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10814 152.0
[M+Na]+ 270.09008 157.5
[M-H]- 246.09358 149.3
[M+NH4]+ 265.13468 172.3
[M+K]+ 286.06402 153.3
[M+H-H2O]+ 230.09812 144.1
[M+HCOO]- 292.09906 162.3
[M+CH3COO]- 306.11471 161.6
[M+Na-2H]- 268.07553 161.2
[M]+ 247.10031 151.8
[M]- 247.10141 151.8
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.