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]+ 134.07759 124.2
[M+Na]+ 156.05953 133.9
[M-H]- 132.06303 124.3
[M+NH4]+ 151.10413 143.6
[M+K]+ 172.03347 131.1
[M+H-H2O]+ 116.06757 117.6
[M+HCOO]- 178.06851 141.4
[M+CH3COO]- 192.08416 172.9
[M+Na-2H]- 154.04498 129.8
[M]+ 133.06976 120.9
[M]- 133.07086 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.