CID 83731623

3-bromo-5-(piperazin-1-yl)phenol dihydrochloride

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]+ 257.028396 149.7
[M+Na]+ 279.010338 158.9
[M-H]- 255.013844 153.2
[M+NH4]+ 274.054943 166.3
[M+K]+ 294.984278 146.5
[M+H-H2O]+ 239.018380 148.6
[M+HCOO]- 301.019321 163.7
[M+CH3COO]- 315.034971 162.0
[M+Na-2H]- 276.995786 155.6
[M]+ 256.02057142 161.8
[M]- 256.02166858 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.