CID 50989413

7,7-difluoro-3-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1CNCC2C1C2(F)F
InChI
InChI=1S/C6H9F2N/c7-6(8)4-1-2-9-3-5(4)6/h4-5,9H,1-3H2
InChIKey
WNYYRDKLJMIYSK-UHFFFAOYSA-N
Compound name
7,7-difluoro-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

133.07031 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07759 125.9
[M+Na]+ 156.05953 135.8
[M-H]- 132.06303 126.1
[M+NH4]+ 151.10413 143.9
[M+K]+ 172.03347 132.9
[M+H-H2O]+ 116.06757 118.9
[M+HCOO]- 178.06851 142.0
[M+CH3COO]- 192.08416 173.4
[M+Na-2H]- 154.04498 133.1
[M]+ 133.06976 121.5
[M]- 133.07086 121.5
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