CID 21016048

1-(4,4-difluorocyclohexyl)ethan-1-amine

Structural Information

Molecular Formula
C8H15F2N
SMILES
CC(C1CCC(CC1)(F)F)N
InChI
InChI=1S/C8H15F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h6-7H,2-5,11H2,1H3
InChIKey
PQXBNSCUACNFMG-UHFFFAOYSA-N
Compound name
1-(4,4-difluorocyclohexyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

163.11725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.12453 134.6
[M+Na]+ 186.10647 140.2
[M-H]- 162.10997 134.6
[M+NH4]+ 181.15107 156.6
[M+K]+ 202.08041 138.7
[M+H-H2O]+ 146.11451 128.2
[M+HCOO]- 208.11545 152.4
[M+CH3COO]- 222.13110 180.6
[M+Na-2H]- 184.09192 137.5
[M]+ 163.11670 125.7
[M]- 163.11780 125.7
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