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]+ 226.14018 149.9
[M+Na]+ 248.12212 156.1
[M-H]- 224.12562 153.0
[M+NH4]+ 243.16672 169.4
[M+K]+ 264.09606 151.9
[M+H-H2O]+ 208.13016 141.6
[M+HCOO]- 270.13110 168.6
[M+CH3COO]- 284.14675 191.4
[M+Na-2H]- 246.10757 153.1
[M]+ 225.13235 141.4
[M]- 225.13345 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.