CID 165668673

3-(1,1,2,2-tetrafluoroethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H9F4N
SMILES
C1C2(CC1(C2)N)C(C(F)F)(F)F
InChI
InChI=1S/C7H9F4N/c8-4(9)7(10,11)5-1-6(12,2-5)3-5/h4H,1-3,12H2
InChIKey
HJNWUVWGNNMMAH-UHFFFAOYSA-N
Compound name
3-(1,1,2,2-tetrafluoroethyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06711 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07439 166.6
[M+Na]+ 206.05633 170.9
[M-H]- 182.05983 165.8
[M+NH4]+ 201.10093 172.1
[M+K]+ 222.03027 175.5
[M+H-H2O]+ 166.06437 151.5
[M+HCOO]- 228.06531 175.0
[M+CH3COO]- 242.08096 211.5
[M+Na-2H]- 204.04178 170.1
[M]+ 183.06656 184.8
[M]- 183.06766 184.8
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.