CID 124286335

3-(difluoromethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1C2(CC1(C2)N)C(F)F
InChI
InChI=1S/C6H9F2N/c7-4(8)5-1-6(9,2-5)3-5/h4H,1-3,9H2
InChIKey
UFLXSCDWEMZHRH-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 152.0
[M+Na]+ 156.059528 156.3
[M-H]- 132.063034 153.3
[M+NH4]+ 151.104133 159.1
[M+K]+ 172.033468 161.5
[M+H-H2O]+ 116.067570 137.9
[M+HCOO]- 178.068511 163.6
[M+CH3COO]- 192.084161 204.9
[M+Na-2H]- 154.044976 156.9
[M]+ 133.06976142 172.4
[M]- 133.07085858 172.4
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

patents stripe