CID 2219372
4-butyl-5-phenyl-4h-1,2,4-triazole-3-thiol
Structural Information
- Molecular Formula
- C12H15N3S
- SMILES
- CCCCN1C(=NNC1=S)C2=CC=CC=C2
- InChI
- InChI=1S/C12H15N3S/c1-2-3-9-15-11(13-14-12(15)16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16)
- InChIKey
- YBXVDDJJTWCFLM-UHFFFAOYSA-N
- Compound name
- 4-butyl-3-phenyl-1H-1,2,4-triazole-5-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 234.10594 | 152.9 |
[M+Na]+ | 256.08788 | 166.3 |
[M+NH4]+ | 251.13248 | 160.8 |
[M+K]+ | 272.06182 | 158.6 |
[M-H]- | 232.09138 | 155.2 |
[M+Na-2H]- | 254.07333 | 159.6 |
[M]+ | 233.09811 | 155.9 |
[M]- | 233.09921 | 155.9 |