CID 165947415

2768327-09-7

Structural Information

Molecular Formula
C6H9F2N
SMILES
CC12CC(C1)(C2(F)F)N
InChI
InChI=1S/C6H9F2N/c1-4-2-5(9,3-4)6(4,7)8/h2-3,9H2,1H3
InChIKey
IMCBAJOXDSJXGT-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-methylbicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 152.8
[M+Na]+ 156.059528 158.9
[M-H]- 132.063034 154.9
[M+NH4]+ 151.104133 161.8
[M+K]+ 172.033468 163.1
[M+H-H2O]+ 116.067570 140.6
[M+HCOO]- 178.068511 165.1
[M+CH3COO]- 192.084161 205.1
[M+Na-2H]- 154.044976 158.9
[M]+ 133.06976142 174.3
[M]- 133.07085858 174.3
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

patents stripe