CID 145867111

2375249-40-2

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1CC([C@@H]2[C@H]1[C@H]2N)(F)F
InChI
InChI=1S/C6H9F2N/c7-6(8)2-1-3-4(6)5(3)9/h3-5H,1-2,9H2/t3-,4+,5+/m0/s1
InChIKey
HEYIRSGXDROHKM-VPENINKCSA-N
Compound name
(1R,5S,6R)-2,2-difluorobicyclo[3.1.0]hexan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 118.6
[M+Na]+ 156.059528 129.9
[M-H]- 132.063034 121.6
[M+NH4]+ 151.104133 140.1
[M+K]+ 172.033468 126.9
[M+H-H2O]+ 116.067570 113.2
[M+HCOO]- 178.068511 139.6
[M+CH3COO]- 192.084161 178.1
[M+Na-2H]- 154.044976 124.5
[M]+ 133.06976142 116.4
[M]- 133.07085858 116.4
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.