CID 155819842

2470280-12-5

Structural Information

Molecular Formula
C8H13F2NO
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2)COC(F)F
InChI
InChI=1S/C8H13F2NO/c9-8(10)12-4-7-5-1-2-6(3-5)11-7/h5-8,11H,1-4H2/t5-,6+,7+/m0/s1
InChIKey
WLZGJCRFTUGWRA-RRKCRQDMSA-N
Compound name
(1R,3S,4S)-3-(difluoromethoxymethyl)-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.103806 137.8
[M+Na]+ 200.085748 144.4
[M-H]- 176.089254 135.0
[M+NH4]+ 195.130353 160.9
[M+K]+ 216.059688 142.2
[M+H-H2O]+ 160.093790 131.1
[M+HCOO]- 222.094731 153.8
[M+CH3COO]- 236.110381 178.0
[M+Na-2H]- 198.071196 139.0
[M]+ 177.09598142 132.8
[M]- 177.09707858 132.8
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.