CID 118700
Butane, 1,1'-(methylenebis(oxy))bis(4-chloro-
Structural Information
- Molecular Formula
- C9H18Cl2O2
- SMILES
- C(CCCl)COCOCCCCCl
- InChI
- InChI=1S/C9H18Cl2O2/c10-5-1-3-7-12-9-13-8-4-2-6-11/h1-9H2
- InChIKey
- FXBWFEQWNNOOTF-UHFFFAOYSA-N
- Compound name
- 1-chloro-4-(4-chlorobutoxymethoxy)butane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.07567 | 148.9 |
[M+Na]+ | 251.05761 | 156.0 |
[M-H]- | 227.06111 | 147.8 |
[M+NH4]+ | 246.10221 | 168.4 |
[M+K]+ | 267.03155 | 152.0 |
[M+H-H2O]+ | 211.06565 | 145.3 |
[M+HCOO]- | 273.06659 | 162.6 |
[M+CH3COO]- | 287.08224 | 188.8 |
[M+Na-2H]- | 249.04306 | 153.3 |
[M]+ | 228.06784 | 156.7 |
[M]- | 228.06894 | 156.7 |
Literature stripe
No literature data available for this compound.