CID 115069
Bmstbp
Structural Information
- Molecular Formula
- C14H10Cl4O4S2
- SMILES
- CS(=O)(=O)C1=C(C=C(C(=C1)Cl)C2=CC(=C(C=C2Cl)S(=O)(=O)C)Cl)Cl
- InChI
- InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
- InChIKey
- RDBKPLOYRMCFIY-UHFFFAOYSA-N
- Compound name
- 1,4-dichloro-2-(2,5-dichloro-4-methylsulfonylphenyl)-5-methylsulfonylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 446.88475 | 185.2 |
[M+Na]+ | 468.86669 | 196.2 |
[M-H]- | 444.87019 | 191.0 |
[M+NH4]+ | 463.91129 | 197.1 |
[M+K]+ | 484.84063 | 189.7 |
[M+H-H2O]+ | 428.87473 | 182.7 |
[M+HCOO]- | 490.87567 | 177.9 |
[M+CH3COO]- | 504.89132 | 220.3 |
[M+Na-2H]- | 466.85214 | 184.1 |
[M]+ | 445.87692 | 192.8 |
[M]- | 445.87802 | 192.8 |
Literature stripe
Patent stripe
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