CID 2759813
400744-83-4
Structural Information
- Molecular Formula
- C14H12O
- SMILES
- CC1=CC(=CC=C1)C2=CC=C(C=C2)C=O
- InChI
- InChI=1S/C14H12O/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13/h2-10H,1H3
- InChIKey
- LUJIYJCRJKYCRK-UHFFFAOYSA-N
- Compound name
- 4-(3-methylphenyl)benzaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.09610 | 140.8 |
[M+Na]+ | 219.07804 | 149.7 |
[M-H]- | 195.08154 | 148.1 |
[M+NH4]+ | 214.12264 | 160.4 |
[M+K]+ | 235.05198 | 145.9 |
[M+H-H2O]+ | 179.08608 | 134.1 |
[M+HCOO]- | 241.08702 | 165.8 |
[M+CH3COO]- | 255.10267 | 185.5 |
[M+Na-2H]- | 217.06349 | 147.7 |
[M]+ | 196.08827 | 141.5 |
[M]- | 196.08937 | 141.5 |