CID 201259

4-phenyl-1-piperazinecarbodithioic acid sodium salt

Structural Information

Molecular Formula
C11H14N2S2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=S)S
InChI
InChI=1S/C11H14N2S2/c14-11(15)13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChIKey
IZXGXPRKFJRXRR-UHFFFAOYSA-N
Compound name
4-phenylpiperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06712 148.3
[M+Na]+ 261.04906 155.0
[M-H]- 237.05256 151.4
[M+NH4]+ 256.09366 164.0
[M+K]+ 277.02300 149.8
[M+H-H2O]+ 221.05710 141.0
[M+HCOO]- 283.05804 155.6
[M+CH3COO]- 297.07369 158.8
[M+Na-2H]- 259.03451 148.1
[M]+ 238.05929 145.4
[M]- 238.06039 145.4
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

No patent data available for this compound.