CID 105465856

1-[4-(difluoromethyl)phenyl]piperazine dihydrochloride

Structural Information

Molecular Formula
C11H14F2N2
SMILES
C1CN(CCN1)C2=CC=C(C=C2)C(F)F
InChI
InChI=1S/C11H14F2N2/c12-11(13)9-1-3-10(4-2-9)15-7-5-14-6-8-15/h1-4,11,14H,5-8H2
InChIKey
CAHYJXFWRVOLJM-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11978 146.3
[M+Na]+ 235.10172 151.5
[M-H]- 211.10522 145.2
[M+NH4]+ 230.14632 161.0
[M+K]+ 251.07566 147.2
[M+H-H2O]+ 195.10976 136.1
[M+HCOO]- 257.11070 160.0
[M+CH3COO]- 271.12635 184.2
[M+Na-2H]- 233.08717 149.4
[M]+ 212.11195 136.7
[M]- 212.11305 136.7
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.