CID 398431

1-(2-fluorophenyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H16FN
SMILES
C1CCC(CC1)(C2=CC=CC=C2F)N
InChI
InChI=1S/C12H16FN/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9,14H2
InChIKey
TUQAYJPQUSXYDU-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

193.12668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13396 142.7
[M+Na]+ 216.11590 148.3
[M-H]- 192.11940 147.0
[M+NH4]+ 211.16050 163.2
[M+K]+ 232.08984 144.8
[M+H-H2O]+ 176.12394 135.3
[M+HCOO]- 238.12488 162.8
[M+CH3COO]- 252.14053 184.5
[M+Na-2H]- 214.10135 147.8
[M]+ 193.12613 134.6
[M]- 193.12723 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe