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 149.7
[M+Na]+ 279.01034 158.9
[M-H]- 255.01384 153.2
[M+NH4]+ 274.05494 166.3
[M+K]+ 294.98428 146.5
[M+H-H2O]+ 239.01838 148.6
[M+HCOO]- 301.01932 163.7
[M+CH3COO]- 315.03497 162.0
[M+Na-2H]- 276.99579 155.6
[M]+ 256.02057 161.8
[M]- 256.02167 161.8
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.