CID 56773870

3-(4-chloro-2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C13H14ClFN2O2
SMILES
C1CNCCC12CN(C(=O)O2)C3=C(C=C(C=C3)Cl)F
InChI
InChI=1S/C13H14ClFN2O2/c14-9-1-2-11(10(15)7-9)17-8-13(19-12(17)18)3-5-16-6-4-13/h1-2,7,16H,3-6,8H2
InChIKey
RIXHSADSVPAZOJ-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07278 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08006 162.1
[M+Na]+ 307.06200 170.4
[M-H]- 283.06550 165.8
[M+NH4]+ 302.10660 177.9
[M+K]+ 323.03594 165.3
[M+H-H2O]+ 267.07004 153.4
[M+HCOO]- 329.07098 171.5
[M+CH3COO]- 343.08663 172.5
[M+Na-2H]- 305.04745 163.7
[M]+ 284.07223 157.0
[M]- 284.07333 157.0
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.