CID 3667
Iaa-94
Structural Information
- Molecular Formula
- C17H18Cl2O4
- SMILES
- CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
- InChI
- InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)
- InChIKey
- RNOJGTHBMJBOSP-UHFFFAOYSA-N
- Compound name
- 2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 357.06551 | 180.9 |
[M+Na]+ | 379.04745 | 190.6 |
[M-H]- | 355.05095 | 187.1 |
[M+NH4]+ | 374.09205 | 201.3 |
[M+K]+ | 395.02139 | 183.9 |
[M+H-H2O]+ | 339.05549 | 177.8 |
[M+HCOO]- | 401.05643 | 190.3 |
[M+CH3COO]- | 415.07208 | 208.0 |
[M+Na-2H]- | 377.03290 | 177.9 |
[M]+ | 356.05768 | 184.6 |
[M]- | 356.05878 | 184.6 |