CID 21534470

4-(4-fluorophenyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H16FN
SMILES
C1CC(CCC1C2=CC=C(C=C2)F)N
InChI
InChI=1S/C12H16FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,12H,3-4,7-8,14H2
InChIKey
GHIWHKYACNCFFY-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

193.12668 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 142.2
[M+Na]+ 216.115898 147.7
[M-H]- 192.119404 146.6
[M+NH4]+ 211.160503 161.0
[M+K]+ 232.089838 144.0
[M+H-H2O]+ 176.123940 134.5
[M+HCOO]- 238.124881 162.3
[M+CH3COO]- 252.140531 186.1
[M+Na-2H]- 214.101346 145.6
[M]+ 193.12613142 134.2
[M]- 193.12722858 134.2
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