CID 2734637

1-(2,4-difluorophenyl)piperazine

Structural Information

Molecular Formula
C10H12F2N2
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
CMCSPBOWEYUGHB-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1065
Patents

198.09685 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10413 141.9
[M+Na]+ 221.08607 148.8
[M-H]- 197.08957 141.3
[M+NH4]+ 216.13067 157.6
[M+K]+ 237.06001 144.2
[M+H-H2O]+ 181.09411 132.0
[M+HCOO]- 243.09505 157.0
[M+CH3COO]- 257.11070 152.5
[M+Na-2H]- 219.07152 146.0
[M]+ 198.09630 133.0
[M]- 198.09740 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe