CID 122164128

1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C6H10FN
SMILES
C1C2CC1(NC2)CF
InChI
InChI=1S/C6H10FN/c7-4-6-1-5(2-6)3-8-6/h5,8H,1-4H2
InChIKey
KQYYXSBTHZHTLO-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.07973 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.087006 128.0
[M+Na]+ 138.068948 135.1
[M-H]- 114.072454 125.8
[M+NH4]+ 133.113553 151.3
[M+K]+ 154.042888 135.3
[M+H-H2O]+ 98.076990 120.3
[M+HCOO]- 160.077931 143.9
[M+CH3COO]- 174.093581 140.6
[M+Na-2H]- 136.054396 136.0
[M]+ 115.07918142 136.8
[M]- 115.08027858 136.8
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.