CID 91800871

1,1-difluoro-5-azaspiro[2.3]hexane hydrochloride

Structural Information

Molecular Formula
C5H7F2N
SMILES
C1C2(C1(F)F)CNC2
InChI
InChI=1S/C5H7F2N/c6-5(7)1-4(5)2-8-3-4/h8H,1-3H2
InChIKey
GOZDGVBSWAOCMB-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-azaspiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
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 122.3
[M+Na]+ 142.04388 132.1
[M-H]- 118.04738 124.7
[M+NH4]+ 137.08848 136.0
[M+K]+ 158.01782 133.1
[M+H-H2O]+ 102.05192 112.7
[M+HCOO]- 164.05286 139.8
[M+CH3COO]- 178.06851 173.5
[M+Na-2H]- 140.02933 130.7
[M]+ 119.05411 127.8
[M]- 119.05521 127.8
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