CID 10420741

2-chloro-4-piperazin-1-ylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

212.07164 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe