CID 80199845

1-(4-chloro-2-fluorophenyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C12H15ClFN
SMILES
C1CCC(CC1)(C2=C(C=C(C=C2)Cl)F)N
InChI
InChI=1S/C12H15ClFN/c13-9-4-5-10(11(14)8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKey
OGKJPBFPBJEIDM-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-fluorophenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0877 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09498 148.8
[M+Na]+ 250.07692 156.1
[M-H]- 226.08042 153.2
[M+NH4]+ 245.12152 169.2
[M+K]+ 266.05086 150.7
[M+H-H2O]+ 210.08496 142.4
[M+HCOO]- 272.08590 164.4
[M+CH3COO]- 286.10155 189.4
[M+Na-2H]- 248.06237 152.7
[M]+ 227.08715 143.3
[M]- 227.08825 143.3
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.