CID 301558
4,4'-diacetylbiphenyl
Structural Information
- Molecular Formula
- C16H14O2
- SMILES
- CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
- InChI
- InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
- InChIKey
- YSTSBXDVNKYPTR-UHFFFAOYSA-N
- Compound name
- 1-[4-(4-acetylphenyl)phenyl]ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 239.10666 | 152.2 |
[M+Na]+ | 261.08860 | 159.8 |
[M-H]- | 237.09210 | 159.3 |
[M+NH4]+ | 256.13320 | 169.7 |
[M+K]+ | 277.06254 | 156.5 |
[M+H-H2O]+ | 221.09664 | 145.1 |
[M+HCOO]- | 283.09758 | 174.8 |
[M+CH3COO]- | 297.11323 | 194.4 |
[M+Na-2H]- | 259.07405 | 155.5 |
[M]+ | 238.09883 | 153.1 |
[M]- | 238.09993 | 153.1 |