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]+ 134.07759 148.3
[M+Na]+ 156.05953 153.6
[M-H]- 132.06303 150.0
[M+NH4]+ 151.10413 155.8
[M+K]+ 172.03347 158.5
[M+H-H2O]+ 116.06757 134.7
[M+HCOO]- 178.06851 160.8
[M+CH3COO]- 192.08416 205.1
[M+Na-2H]- 154.04498 154.1
[M]+ 133.06976 169.6
[M]- 133.07086 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.