CID 47003586

2731007-98-8

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1CC2C(C2(F)F)NC1
InChI
InChI=1S/C6H9F2N/c7-6(8)4-2-1-3-9-5(4)6/h4-5,9H,1-3H2
InChIKey
UPDLNRKAPHAFJQ-UHFFFAOYSA-N
Compound name
7,7-difluoro-2-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.07031 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.