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

37
Patents

133.07031 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07759 152.0
[M+Na]+ 156.05953 156.3
[M-H]- 132.06303 153.3
[M+NH4]+ 151.10413 159.1
[M+K]+ 172.03347 161.5
[M+H-H2O]+ 116.06757 137.9
[M+HCOO]- 178.06851 163.6
[M+CH3COO]- 192.08416 204.9
[M+Na-2H]- 154.04498 156.9
[M]+ 133.06976 172.4
[M]- 133.07086 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