CID 114931205

1-[(2,6-difluorophenyl)methyl]cyclohexan-1-amine

Structural Information

Molecular Formula
C13H17F2N
SMILES
C1CCC(CC1)(CC2=C(C=CC=C2F)F)N
InChI
InChI=1S/C13H17F2N/c14-11-5-4-6-12(15)10(11)9-13(16)7-2-1-3-8-13/h4-6H,1-3,7-9,16H2
InChIKey
XQUXYKGFDKUZHG-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1329 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.140176 149.9
[M+Na]+ 248.122118 156.1
[M-H]- 224.125624 153.0
[M+NH4]+ 243.166723 169.4
[M+K]+ 264.096058 151.9
[M+H-H2O]+ 208.130160 141.6
[M+HCOO]- 270.131101 168.6
[M+CH3COO]- 284.146751 191.4
[M+Na-2H]- 246.107566 153.1
[M]+ 225.13235142 141.4
[M]- 225.13344858 141.4
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.