CID 14750020
1033464-77-5
Structural Information
- Molecular Formula
- C7H6ClN3O2S
- SMILES
- CN1C2=C(C(=CC=C2)S(=O)(=O)Cl)N=N1
- InChI
- InChI=1S/C7H6ClN3O2S/c1-11-5-3-2-4-6(14(8,12)13)7(5)9-10-11/h2-4H,1H3
- InChIKey
- MWCCQCDMLOHIDD-UHFFFAOYSA-N
- Compound name
- 1-methylbenzotriazole-4-sulfonyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 231.99420 | 146.1 |
[M+Na]+ | 253.97614 | 160.4 |
[M+NH4]+ | 249.02074 | 153.7 |
[M+K]+ | 269.95008 | 154.3 |
[M-H]- | 229.97964 | 145.7 |
[M+Na-2H]- | 251.96159 | 151.7 |
[M]+ | 230.98637 | 148.7 |
[M]- | 230.98747 | 148.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.