CID 145867378

2375250-78-3

Structural Information

Molecular Formula
C7H10F3N
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2)C(F)(F)F
InChI
InChI=1S/C7H10F3N/c8-7(9,10)6-4-1-2-5(3-4)11-6/h4-6,11H,1-3H2/t4-,5+,6-/m0/s1
InChIKey
ZDNTYGGIRHRRDM-JKUQZMGJSA-N
Compound name
(1R,3S,4S)-3-(trifluoromethyl)-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.083816 133.1
[M+Na]+ 188.065758 141.0
[M-H]- 164.069264 129.4
[M+NH4]+ 183.110363 156.9
[M+K]+ 204.039698 138.1
[M+H-H2O]+ 148.073800 126.4
[M+HCOO]- 210.074741 147.6
[M+CH3COO]- 224.090391 174.7
[M+Na-2H]- 186.051206 136.2
[M]+ 165.07599142 125.2
[M]- 165.07708858 125.2
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.