CID 4719195

N-[(2-fluorophenyl)methyl]cyclohexanamine hydrochloride

Structural Information

Molecular Formula
C13H18FN
SMILES
C1CCC(CC1)NCC2=CC=CC=C2F
InChI
InChI=1S/C13H18FN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2
InChIKey
VKSCCGGJVYKRRN-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.14233 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14961 146.1
[M+Na]+ 230.13155 150.2
[M-H]- 206.13505 150.3
[M+NH4]+ 225.17615 164.3
[M+K]+ 246.10549 146.6
[M+H-H2O]+ 190.13959 137.9
[M+HCOO]- 252.14053 166.5
[M+CH3COO]- 266.15618 188.7
[M+Na-2H]- 228.11700 150.7
[M]+ 207.14178 139.0
[M]- 207.14288 139.0
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