CID 130949503

1-(4,4-difluorocyclohexyl)piperazine

Structural Information

Molecular Formula
C10H18F2N2
SMILES
C1CC(CCC1N2CCNCC2)(F)F
InChI
InChI=1S/C10H18F2N2/c11-10(12)3-1-9(2-4-10)14-7-5-13-6-8-14/h9,13H,1-8H2
InChIKey
OBDKCMYSVYCHDP-UHFFFAOYSA-N
Compound name
1-(4,4-difluorocyclohexyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1438 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15108 148.3
[M+Na]+ 227.13302 151.9
[M-H]- 203.13652 146.5
[M+NH4]+ 222.17762 165.1
[M+K]+ 243.10696 148.6
[M+H-H2O]+ 187.14106 138.4
[M+HCOO]- 249.14200 158.9
[M+CH3COO]- 263.15765 181.0
[M+Na-2H]- 225.11847 150.6
[M]+ 204.14325 134.8
[M]- 204.14435 134.8
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.