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

1
Patents

212.1125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.119776 146.3
[M+Na]+ 235.101718 151.5
[M-H]- 211.105224 145.2
[M+NH4]+ 230.146323 161.0
[M+K]+ 251.075658 147.2
[M+H-H2O]+ 195.109760 136.1
[M+HCOO]- 257.110701 160.0
[M+CH3COO]- 271.126351 184.2
[M+Na-2H]- 233.087166 149.4
[M]+ 212.11195142 136.7
[M]- 212.11304858 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

patents stripe