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]+ 178.10381 137.8
[M+Na]+ 200.08575 144.4
[M-H]- 176.08925 135.0
[M+NH4]+ 195.13035 160.9
[M+K]+ 216.05969 142.2
[M+H-H2O]+ 160.09379 131.1
[M+HCOO]- 222.09473 153.8
[M+CH3COO]- 236.11038 178.0
[M+Na-2H]- 198.07120 139.0
[M]+ 177.09598 132.8
[M]- 177.09708 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.