CID 129914345
1-chloro-4-(chloromethyl)-2-ethylbenzene
Structural Information
- Molecular Formula
- C9H10Cl2
- SMILES
- CCC1=C(C=CC(=C1)CCl)Cl
- InChI
- InChI=1S/C9H10Cl2/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5H,2,6H2,1H3
- InChIKey
- RPDLAJSLUVJQEK-UHFFFAOYSA-N
- Compound name
- 1-chloro-4-(chloromethyl)-2-ethylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 189.02324 | 134.8 |
[M+Na]+ | 211.00518 | 145.3 |
[M-H]- | 187.00868 | 138.0 |
[M+NH4]+ | 206.04978 | 156.4 |
[M+K]+ | 226.97912 | 139.9 |
[M+H-H2O]+ | 171.01322 | 131.3 |
[M+HCOO]- | 233.01416 | 149.6 |
[M+CH3COO]- | 247.02981 | 182.4 |
[M+Na-2H]- | 208.99063 | 140.5 |
[M]+ | 188.01541 | 138.3 |
[M]- | 188.01651 | 138.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.