CID 63990246

1-(2,3-difluorophenyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CCC(CC1)(C2=C(C(=CC=C2)F)F)N
InChI
InChI=1S/C12H15F2N/c13-10-6-4-5-9(11(10)14)12(15)7-2-1-3-8-12/h4-6H,1-3,7-8,15H2
InChIKey
CBGUIPOVLRXSBN-UHFFFAOYSA-N
Compound name
1-(2,3-difluorophenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11725 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.124526 145.4
[M+Na]+ 234.106468 152.0
[M-H]- 210.109974 148.7
[M+NH4]+ 229.151073 165.5
[M+K]+ 250.080408 148.1
[M+H-H2O]+ 194.114510 137.3
[M+HCOO]- 256.115451 164.4
[M+CH3COO]- 270.131101 188.4
[M+Na-2H]- 232.091916 149.1
[M]+ 211.11670142 136.6
[M]- 211.11779858 136.6
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.