CID 4961699

1052542-53-6

Structural Information

Molecular Formula
C15H21ClFN
SMILES
CC1CCCC(C1C)NCC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C15H21ClFN/c1-10-5-3-8-15(11(10)2)18-9-12-13(16)6-4-7-14(12)17/h4,6-7,10-11,15,18H,3,5,8-9H2,1-2H3
InChIKey
WDEUUKKXKBLDLE-UHFFFAOYSA-N
Compound name
N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13464 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14192 162.4
[M+Na]+ 292.12386 169.3
[M-H]- 268.12736 167.1
[M+NH4]+ 287.16846 179.9
[M+K]+ 308.09780 163.4
[M+H-H2O]+ 252.13190 155.2
[M+HCOO]- 314.13284 177.5
[M+CH3COO]- 328.14849 201.9
[M+Na-2H]- 290.10931 163.2
[M]+ 269.13409 159.5
[M]- 269.13519 159.5
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.