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

2
Patents

238.05984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.067116 148.3
[M+Na]+ 261.049058 155.0
[M-H]- 237.052564 151.4
[M+NH4]+ 256.093663 164.0
[M+K]+ 277.022998 149.8
[M+H-H2O]+ 221.057100 141.0
[M+HCOO]- 283.058041 155.6
[M+CH3COO]- 297.073691 158.8
[M+Na-2H]- 259.034506 148.1
[M]+ 238.05929142 145.4
[M]- 238.06038858 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

patents stripe