CID 131297949

2-chloro-6-(piperazin-1-yl)phenol dihydrochloride

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
C1CN(CCN1)C2=C(C(=CC=C2)Cl)O
InChI
InChI=1S/C10H13ClN2O/c11-8-2-1-3-9(10(8)14)13-6-4-12-5-7-13/h1-3,12,14H,4-7H2
InChIKey
QHGNMMHYMJOXQC-UHFFFAOYSA-N
Compound name
2-chloro-6-piperazin-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.07164 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.078916 145.5
[M+Na]+ 235.060858 152.5
[M-H]- 211.064364 146.1
[M+NH4]+ 230.105463 160.8
[M+K]+ 251.034798 146.9
[M+H-H2O]+ 195.068900 138.3
[M+HCOO]- 257.069841 156.8
[M+CH3COO]- 271.085491 156.1
[M+Na-2H]- 233.046306 149.9
[M]+ 212.07109142 140.4
[M]- 212.07218858 140.4
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

patents stripe