CID 84716388

3-(difluoromethyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1CC(CC(C1)N)C(F)F
InChI
InChI=1S/C7H13F2N/c8-7(9)5-2-1-3-6(10)4-5/h5-7H,1-4,10H2
InChIKey
VYZHFSHPTHUYEX-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.10161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 132.8
[M+Na]+ 172.09083 140.7
[M+NH4]+ 167.13543 140.4
[M+K]+ 188.06477 135.4
[M-H]- 148.09433 132.3
[M+Na-2H]- 170.07628 136.2
[M]+ 149.10106 133.3
[M]- 149.10216 133.3
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.