CID 131083253

2306245-93-0

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1[C@@H]2[C@@H](C2C(F)F)CN1
InChI
InChI=1S/C6H9F2N/c7-6(8)5-3-1-9-2-4(3)5/h3-6,9H,1-2H2/t3-,4+,5?
InChIKey
TWOADOJJSNEDES-NGQZWQHPSA-N
Compound name
(1R,5S)-6-(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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07759 122.9
[M+Na]+ 156.05953 132.7
[M-H]- 132.06303 123.0
[M+NH4]+ 151.10413 140.7
[M+K]+ 172.03347 129.0
[M+H-H2O]+ 116.06757 115.5
[M+HCOO]- 178.06851 140.4
[M+CH3COO]- 192.08416 174.4
[M+Na-2H]- 154.04498 127.0
[M]+ 133.06976 119.6
[M]- 133.07086 119.6
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.