CID 53429221

4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CC2(CCC1(C2)C(F)F)N
InChI
InChI=1S/C8H13F2N/c9-6(10)7-1-3-8(11,5-7)4-2-7/h6H,1-5,11H2
InChIKey
IDBCDMVFDINIGC-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)bicyclo[2.2.1]heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.10161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10889 133.8
[M+Na]+ 184.09083 141.1
[M-H]- 160.09433 133.6
[M+NH4]+ 179.13543 162.6
[M+K]+ 200.06477 138.6
[M+H-H2O]+ 144.09887 128.6
[M+HCOO]- 206.09981 152.6
[M+CH3COO]- 220.11546 178.3
[M+Na-2H]- 182.07628 137.8
[M]+ 161.10106 127.1
[M]- 161.10216 127.1
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