CID 45158913

6,6-difluoro-3-azabicyclo[3.1.0]hexane hydrochloride

Structural Information

Molecular Formula
C5H7F2N
SMILES
C1C2C(C2(F)F)CN1
InChI
InChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2
InChIKey
GHBUVDSNXSMDMM-UHFFFAOYSA-N
Compound name
6,6-difluoro-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

119.05466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06194 119.5
[M+Na]+ 142.04388 130.8
[M-H]- 118.04738 120.1
[M+NH4]+ 137.08848 139.8
[M+K]+ 158.01782 127.7
[M+H-H2O]+ 102.05192 113.2
[M+HCOO]- 164.05286 137.9
[M+CH3COO]- 178.06851 170.3
[M+Na-2H]- 140.02933 126.1
[M]+ 119.05411 116.8
[M]- 119.05521 116.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe