CID 93937
4,4'-methylenebis(6-chloro-o-cresol)
Structural Information
- Molecular Formula
- C15H14Cl2O2
- SMILES
- CC1=CC(=CC(=C1O)Cl)CC2=CC(=C(C(=C2)C)O)Cl
- InChI
- InChI=1S/C15H14Cl2O2/c1-8-3-10(6-12(16)14(8)18)5-11-4-9(2)15(19)13(17)7-11/h3-4,6-7,18-19H,5H2,1-2H3
- InChIKey
- BDJIGDUAAKRYNC-UHFFFAOYSA-N
- Compound name
- 2-chloro-4-[(3-chloro-4-hydroxy-5-methylphenyl)methyl]-6-methylphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 297.04436 | 161.3 |
[M+Na]+ | 319.02630 | 173.2 |
[M-H]- | 295.02980 | 166.0 |
[M+NH4]+ | 314.07090 | 177.9 |
[M+K]+ | 335.00024 | 165.8 |
[M+H-H2O]+ | 279.03434 | 157.0 |
[M+HCOO]- | 341.03528 | 173.2 |
[M+CH3COO]- | 355.05093 | 199.4 |
[M+Na-2H]- | 317.01175 | 162.6 |
[M]+ | 296.03653 | 165.8 |
[M]- | 296.03763 | 165.8 |
Literature stripe
No literature data available for this compound.