CID 137935763

2253632-35-6

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CCC2(C(C1)C2(F)F)CN
InChI
InChI=1S/C8H13F2N/c9-8(10)6-3-1-2-4-7(6,8)5-11/h6H,1-5,11H2
InChIKey
GAUNMIFFJSDGPX-UHFFFAOYSA-N
Compound name
(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.10161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 130.3
[M+Na]+ 184.090828 139.8
[M-H]- 160.094334 132.9
[M+NH4]+ 179.135433 150.6
[M+K]+ 200.064768 137.9
[M+H-H2O]+ 144.098870 124.7
[M+HCOO]- 206.099811 148.5
[M+CH3COO]- 220.115461 182.8
[M+Na-2H]- 182.076276 137.7
[M]+ 161.10106142 126.9
[M]- 161.10215858 126.9
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.