CID 19622797

1-(2,2-difluoroethyl)piperazine

Structural Information

Molecular Formula
C6H12F2N2
SMILES
C1CN(CCN1)CC(F)F
InChI
InChI=1S/C6H12F2N2/c7-6(8)5-10-3-1-9-2-4-10/h6,9H,1-5H2
InChIKey
JIARBLBYLGYCBZ-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

150.09685 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.10413 131.5
[M+Na]+ 173.08607 136.4
[M-H]- 149.08957 127.1
[M+NH4]+ 168.13067 148.7
[M+K]+ 189.06001 134.5
[M+H-H2O]+ 133.09411 122.7
[M+HCOO]- 195.09505 145.3
[M+CH3COO]- 209.11070 172.4
[M+Na-2H]- 171.07152 135.2
[M]+ 150.09630 122.1
[M]- 150.09740 122.1
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