CID 97308040

2095396-96-4

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1[C@H]2[C@@]1(CNC2)C(F)F
InChI
InChI=1S/C6H9F2N/c7-5(8)6-1-4(6)2-9-3-6/h4-5,9H,1-3H2/t4-,6-/m1/s1
InChIKey
NRTAXGWWRFXJOB-INEUFUBQSA-N
Compound name
(1S,5S)-1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.07031 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 124.2
[M+Na]+ 156.059528 133.9
[M-H]- 132.063034 124.3
[M+NH4]+ 151.104133 143.6
[M+K]+ 172.033468 131.1
[M+H-H2O]+ 116.067570 117.6
[M+HCOO]- 178.068511 141.4
[M+CH3COO]- 192.084161 172.9
[M+Na-2H]- 154.044976 129.8
[M]+ 133.06976142 120.9
[M]- 133.07085858 120.9
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.