CID 43135347
4-(4-chlorophenyl)piperazine-1-carbothioamide
Structural Information
- Molecular Formula
- C11H14ClN3S
- SMILES
- C1CN(CCN1C2=CC=C(C=C2)Cl)C(=S)N
- InChI
- InChI=1S/C11H14ClN3S/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
- InChIKey
- CRDZSEHZNBCBHU-UHFFFAOYSA-N
- Compound name
- 4-(4-chlorophenyl)piperazine-1-carbothioamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.06698 | 154.6 |
[M+Na]+ | 278.04892 | 161.6 |
[M-H]- | 254.05242 | 157.6 |
[M+NH4]+ | 273.09352 | 169.7 |
[M+K]+ | 294.02286 | 155.6 |
[M+H-H2O]+ | 238.05696 | 147.3 |
[M+HCOO]- | 300.05790 | 162.9 |
[M+CH3COO]- | 314.07355 | 164.9 |
[M+Na-2H]- | 276.03437 | 154.8 |
[M]+ | 255.05915 | 151.3 |
[M]- | 255.06025 | 151.3 |
Literature stripe
No literature data available for this compound.