CID 137838634

6,6,7,7-tetrafluoro-3-azabicyclo[3.2.0]heptane hydrochloride

Structural Information

Molecular Formula
C6H7F4N
SMILES
C1C2C(CN1)C(C2(F)F)(F)F
InChI
InChI=1S/C6H7F4N/c7-5(8)3-1-11-2-4(3)6(5,9)10/h3-4,11H,1-2H2
InChIKey
GERIVTDMFIZMIH-UHFFFAOYSA-N
Compound name
6,6,7,7-tetrafluoro-3-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05147 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05875 129.8
[M+Na]+ 192.04069 139.3
[M-H]- 168.04419 127.6
[M+NH4]+ 187.08529 148.8
[M+K]+ 208.01463 138.4
[M+H-H2O]+ 152.04873 119.3
[M+HCOO]- 214.04967 144.4
[M+CH3COO]- 228.06532 179.1
[M+Na-2H]- 190.02614 134.3
[M]+ 169.05092 130.5
[M]- 169.05202 130.5
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.