CID 50989410

8,8-difluoro-3-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1CC2CNCC1C2(F)F
InChI
InChI=1S/C7H11F2N/c8-7(9)5-1-2-6(7)4-10-3-5/h5-6,10H,1-4H2
InChIKey
ARZGRQADWCHYAO-UHFFFAOYSA-N
Compound name
8,8-difluoro-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

147.08595 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.093226 128.7
[M+Na]+ 170.075168 136.3
[M-H]- 146.078674 126.1
[M+NH4]+ 165.119773 153.4
[M+K]+ 186.049108 133.2
[M+H-H2O]+ 130.083210 122.3
[M+HCOO]- 192.084151 143.7
[M+CH3COO]- 206.099801 140.8
[M+Na-2H]- 168.060616 134.1
[M]+ 147.08540142 120.6
[M]- 147.08649858 120.6
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

patents stripe