CID 20311157
2-(octyloxy)benzoyl chloride
Structural Information
- Molecular Formula
- C15H21ClO2
- SMILES
- CCCCCCCCOC1=CC=CC=C1C(=O)Cl
- InChI
- InChI=1S/C15H21ClO2/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3
- InChIKey
- WCJLKAOWUBVWSG-UHFFFAOYSA-N
- Compound name
- 2-octoxybenzoyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 269.13030 | 162.5 |
[M+Na]+ | 291.11224 | 169.2 |
[M-H]- | 267.11574 | 165.3 |
[M+NH4]+ | 286.15684 | 180.0 |
[M+K]+ | 307.08618 | 164.6 |
[M+H-H2O]+ | 251.12028 | 156.6 |
[M+HCOO]- | 313.12122 | 180.3 |
[M+CH3COO]- | 327.13687 | 198.3 |
[M+Na-2H]- | 289.09769 | 165.1 |
[M]+ | 268.12247 | 168.6 |
[M]- | 268.12357 | 168.6 |