CID 177696223

1-{2,2-difluorobicyclo[1.1.1]pentan-1-yl}methanamine hydrochloride

Structural Information

Molecular Formula
C6H9F2N
SMILES
C1C2CC1(C2(F)F)CN
InChI
InChI=1S/C6H9F2N/c7-6(8)4-1-5(6,2-4)3-9/h4H,1-3,9H2
InChIKey
QFSDIGCLSQFHTA-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1-bicyclo[1.1.1]pentanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.07031 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.077586 148.3
[M+Na]+ 156.059528 153.6
[M-H]- 132.063034 150.0
[M+NH4]+ 151.104133 155.8
[M+K]+ 172.033468 158.5
[M+H-H2O]+ 116.067570 134.7
[M+HCOO]- 178.068511 160.8
[M+CH3COO]- 192.084161 205.1
[M+Na-2H]- 154.044976 154.1
[M]+ 133.06976142 169.6
[M]- 133.07085858 169.6
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.