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

6
Patents

193.12668 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13396 142.2
[M+Na]+ 216.11590 147.7
[M-H]- 192.11940 146.6
[M+NH4]+ 211.16050 161.0
[M+K]+ 232.08984 144.0
[M+H-H2O]+ 176.12394 134.5
[M+HCOO]- 238.12488 162.3
[M+CH3COO]- 252.14053 186.1
[M+Na-2H]- 214.10135 145.6
[M]+ 193.12613 134.2
[M]- 193.12723 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