CID 109200
Octanedioyl dichloride, ethyl-
Structural Information
- Molecular Formula
- C10H16Cl2O2
- SMILES
- CCC(CCCC(=O)Cl)CCC(=O)Cl
- InChI
- InChI=1S/C10H16Cl2O2/c1-2-8(6-7-10(12)14)4-3-5-9(11)13/h8H,2-7H2,1H3
- InChIKey
- XOFROKYLSKPSOE-UHFFFAOYSA-N
- Compound name
- 4-ethyloctanedioyl dichloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 239.06001 | 150.4 |
[M+Na]+ | 261.04195 | 157.2 |
[M-H]- | 237.04545 | 149.7 |
[M+NH4]+ | 256.08655 | 169.4 |
[M+K]+ | 277.01589 | 153.0 |
[M+H-H2O]+ | 221.04999 | 147.4 |
[M+HCOO]- | 283.05093 | 161.5 |
[M+CH3COO]- | 297.06658 | 192.3 |
[M+Na-2H]- | 259.02740 | 150.8 |
[M]+ | 238.05218 | 155.6 |
[M]- | 238.05328 | 155.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.