CID 54595502

6,6-difluoro-2-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1C2(CC1(F)F)CNC2
InChI
InChI=1S/C6H9F2N/c7-6(8)1-5(2-6)3-9-4-5/h9H,1-4H2
InChIKey
HSTZDPVQCODIFA-UHFFFAOYSA-N
Compound name
6,6-difluoro-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

133.07031 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 122.8
[M+Na]+ 156.059528 129.1
[M-H]- 132.063034 124.1
[M+NH4]+ 151.104133 133.5
[M+K]+ 172.033468 132.1
[M+H-H2O]+ 116.067570 110.0
[M+HCOO]- 178.068511 137.9
[M+CH3COO]- 192.084161 182.5
[M+Na-2H]- 154.044976 129.8
[M]+ 133.06976142 133.2
[M]- 133.07085858 133.2
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