CID 83731623

2551119-98-1

Structural Information

Molecular Formula
C10H13BrN2O
SMILES
C1CN(CCN1)C2=CC(=CC(=C2)Br)O
InChI
InChI=1S/C10H13BrN2O/c11-8-5-9(7-10(14)6-8)13-3-1-12-2-4-13/h5-7,12,14H,1-4H2
InChIKey
LUWAIBICFONJKR-UHFFFAOYSA-N
Compound name
3-bromo-5-piperazin-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.02112 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02840 151.0
[M+Na]+ 279.01034 154.0
[M+NH4]+ 274.05494 155.3
[M+K]+ 294.98428 153.8
[M-H]- 255.01384 151.8
[M+Na-2H]- 276.99579 154.3
[M]+ 256.02057 150.3
[M]- 256.02167 150.3
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.