CID 548250
8-chlorooctanoic acid
Structural Information
- Molecular Formula
- C8H15ClO2
- SMILES
- C(CCCC(=O)O)CCCCl
- InChI
- InChI=1S/C8H15ClO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
- InChIKey
- SCTRLHIAVHHIEJ-UHFFFAOYSA-N
- Compound name
- 8-chlorooctanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.08333 | 138.7 |
[M+Na]+ | 201.06527 | 145.6 |
[M-H]- | 177.06877 | 137.2 |
[M+NH4]+ | 196.10987 | 159.1 |
[M+K]+ | 217.03921 | 142.5 |
[M+H-H2O]+ | 161.07331 | 135.1 |
[M+HCOO]- | 223.07425 | 155.6 |
[M+CH3COO]- | 237.08990 | 178.3 |
[M+Na-2H]- | 199.05072 | 142.6 |
[M]+ | 178.07550 | 142.2 |
[M]- | 178.07660 | 142.2 |