CID 100039
Clofop-isobutyl
Structural Information
- Molecular Formula
- C19H21ClO4
- SMILES
- CC(C)COC(=O)C(C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
- InChI
- InChI=1S/C19H21ClO4/c1-13(2)12-22-19(21)14(3)23-16-8-10-18(11-9-16)24-17-6-4-15(20)5-7-17/h4-11,13-14H,12H2,1-3H3
- InChIKey
- XNBRPBFBBCFVEH-UHFFFAOYSA-N
- Compound name
- 2-methylpropyl 2-[4-(4-chlorophenoxy)phenoxy]propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 349.12010 | 179.5 |
[M+Na]+ | 371.10204 | 185.8 |
[M-H]- | 347.10554 | 185.8 |
[M+NH4]+ | 366.14664 | 193.3 |
[M+K]+ | 387.07598 | 182.3 |
[M+H-H2O]+ | 331.11008 | 172.0 |
[M+HCOO]- | 393.11102 | 195.8 |
[M+CH3COO]- | 407.12667 | 212.1 |
[M+Na-2H]- | 369.08749 | 179.6 |
[M]+ | 348.11227 | 186.6 |
[M]- | 348.11337 | 186.6 |