CID 155858863

2580253-68-3

Structural Information

Molecular Formula
C13H14F3N
SMILES
C1CC2(C1)CNC2C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C13H14F3N/c14-13(15,16)10-4-2-9(3-5-10)11-12(8-17-11)6-1-7-12/h2-5,11,17H,1,6-8H2
InChIKey
DSPCCVMBEYYQJP-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11511 147.7
[M+Na]+ 264.09705 153.4
[M-H]- 240.10055 149.8
[M+NH4]+ 259.14165 152.7
[M+K]+ 280.07099 154.3
[M+H-H2O]+ 224.10509 131.0
[M+HCOO]- 286.10603 159.7
[M+CH3COO]- 300.12168 200.3
[M+Na-2H]- 262.08250 152.0
[M]+ 241.10728 156.6
[M]- 241.10838 156.6
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

No patent data available for this compound.