CID 19215
1,1,1,3,3,3-hexachloropropane
Structural Information
- Molecular Formula
- C3H2Cl6
- SMILES
- C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
- InChI
- InChI=1S/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2
- InChIKey
- BBEAZDGZMVABIC-UHFFFAOYSA-N
- Compound name
- 1,1,1,3,3,3-hexachloropropane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 248.83605 | 154.3 |
[M+Na]+ | 270.81799 | 161.0 |
[M-H]- | 246.82149 | 148.1 |
[M+NH4]+ | 265.86259 | 169.3 |
[M+K]+ | 286.79193 | 157.0 |
[M+H-H2O]+ | 230.82603 | 153.1 |
[M+HCOO]- | 292.82697 | 144.1 |
[M+CH3COO]- | 306.84262 | 194.2 |
[M+Na-2H]- | 268.80344 | 155.0 |
[M]+ | 247.82822 | 149.1 |
[M]- | 247.82932 | 149.1 |