CID 76223010

5,5-difluoro-2-azabicyclo[2.2.2]octane

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1CC2CNC1CC2(F)F
InChI
InChI=1S/C7H11F2N/c8-7(9)3-6-2-1-5(7)4-10-6/h5-6,10H,1-4H2
InChIKey
WRIONTXKBJJURC-UHFFFAOYSA-N
Compound name
5,5-difluoro-2-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08595 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09323 130.1
[M+Na]+ 170.07517 136.1
[M-H]- 146.07867 122.1
[M+NH4]+ 165.11977 155.9
[M+K]+ 186.04911 132.8
[M+H-H2O]+ 130.08321 123.8
[M+HCOO]- 192.08415 138.1
[M+CH3COO]- 206.09980 140.4
[M+Na-2H]- 168.06062 141.4
[M]+ 147.08540 125.4
[M]- 147.08650 125.4
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.