CID 19763581

2-(1,1-difluoroethyl)piperazine

Structural Information

Molecular Formula
C6H12F2N2
SMILES
CC(C1CNCCN1)(F)F
InChI
InChI=1S/C6H12F2N2/c1-6(7,8)5-4-9-2-3-10-5/h5,9-10H,2-4H2,1H3
InChIKey
NDQXSRKVNSUVEW-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

150.09685 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.10413 132.5
[M+Na]+ 173.08607 137.7
[M-H]- 149.08957 127.1
[M+NH4]+ 168.13067 149.3
[M+K]+ 189.06001 134.8
[M+H-H2O]+ 133.09411 124.6
[M+HCOO]- 195.09505 144.2
[M+CH3COO]- 209.11070 169.3
[M+Na-2H]- 171.07152 137.6
[M]+ 150.09630 121.4
[M]- 150.09740 121.4
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

patents stripe