CID 174812
Butoxypentachlorobenzene
Structural Information
- Molecular Formula
- C10H9Cl5O
- SMILES
- CCCCOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
- InChI
- InChI=1S/C10H9Cl5O/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-4H2,1H3
- InChIKey
- WZEKHHYDVVXEED-UHFFFAOYSA-N
- Compound name
- 1-butoxy-2,3,4,5,6-pentachlorobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 320.91688 | 162.5 |
[M+Na]+ | 342.89882 | 172.8 |
[M-H]- | 318.90232 | 161.2 |
[M+NH4]+ | 337.94342 | 177.7 |
[M+K]+ | 358.87276 | 167.1 |
[M+H-H2O]+ | 302.90686 | 160.4 |
[M+HCOO]- | 364.90780 | 160.2 |
[M+CH3COO]- | 378.92345 | 207.5 |
[M+Na-2H]- | 340.88427 | 161.1 |
[M]+ | 319.90905 | 165.3 |
[M]- | 319.91015 | 165.3 |