CID 237822
2-benzylidene-1,3-indandione
Structural Information
- Molecular Formula
- C16H10O2
- SMILES
- C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O
- InChI
- InChI=1S/C16H10O2/c17-15-12-8-4-5-9-13(12)16(18)14(15)10-11-6-2-1-3-7-11/h1-10H
- InChIKey
- OPKPFEWFKYKJCF-UHFFFAOYSA-N
- Compound name
- 2-benzylideneindene-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 235.07536 | 150.1 |
[M+Na]+ | 257.05730 | 159.9 |
[M-H]- | 233.06080 | 158.4 |
[M+NH4]+ | 252.10190 | 170.9 |
[M+K]+ | 273.03124 | 154.5 |
[M+H-H2O]+ | 217.06534 | 143.7 |
[M+HCOO]- | 279.06628 | 174.1 |
[M+CH3COO]- | 293.08193 | 164.0 |
[M+Na-2H]- | 255.04275 | 154.4 |
[M]+ | 234.06753 | 149.9 |
[M]- | 234.06863 | 149.9 |