CID 16228153

1-[2-(difluoromethoxy)benzoyl]piperazine

Structural Information

Molecular Formula
C12H14F2N2O2
SMILES
C1CN(CCN1)C(=O)C2=CC=CC=C2OC(F)F
InChI
InChI=1S/C12H14F2N2O2/c13-12(14)18-10-4-2-1-3-9(10)11(17)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2
InChIKey
GAYUATPZDHVOEB-UHFFFAOYSA-N
Compound name
[2-(difluoromethoxy)phenyl]-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10233 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10961 156.0
[M+Na]+ 279.09155 160.6
[M-H]- 255.09505 154.9
[M+NH4]+ 274.13615 168.6
[M+K]+ 295.06549 157.1
[M+H-H2O]+ 239.09959 145.4
[M+HCOO]- 301.10053 169.0
[M+CH3COO]- 315.11618 190.7
[M+Na-2H]- 277.07700 157.4
[M]+ 256.10178 148.2
[M]- 256.10288 148.2
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.