CID 540244
1530-56-9
Structural Information
- Molecular Formula
- C11H10ClNO6
- SMILES
- CC(=O)OC(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])OC(=O)C
- InChI
- InChI=1S/C11H10ClNO6/c1-6(14)18-11(19-7(2)15)9-4-3-8(12)5-10(9)13(16)17/h3-5,11H,1-2H3
- InChIKey
- JFZSKYRYLDKGRC-UHFFFAOYSA-N
- Compound name
- [acetyloxy-(4-chloro-2-nitrophenyl)methyl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 288.02693 | 156.5 |
[M+Na]+ | 310.00887 | 163.6 |
[M-H]- | 286.01237 | 160.4 |
[M+NH4]+ | 305.05347 | 172.1 |
[M+K]+ | 325.98281 | 158.4 |
[M+H-H2O]+ | 270.01691 | 156.1 |
[M+HCOO]- | 332.01785 | 175.4 |
[M+CH3COO]- | 346.03350 | 191.9 |
[M+Na-2H]- | 307.99432 | 159.7 |
[M]+ | 287.01910 | 161.1 |
[M]- | 287.02020 | 161.1 |
Literature stripe
No literature data available for this compound.