CID 4487545
2,2''-bis-bromomethyl-6,6''-dimethyl-(1,1',3',1'')terphenyl
Structural Information
- Molecular Formula
- C22H20Br2
- SMILES
- CC1=C(C(=CC=C1)CBr)C2=CC(=CC=C2)C3=C(C=CC=C3CBr)C
- InChI
- InChI=1S/C22H20Br2/c1-15-6-3-10-19(13-23)21(15)17-8-5-9-18(12-17)22-16(2)7-4-11-20(22)14-24/h3-12H,13-14H2,1-2H3
- InChIKey
- TXEWSVZSYPGDGK-UHFFFAOYSA-N
- Compound name
- 1-(bromomethyl)-2-[3-[2-(bromomethyl)-6-methylphenyl]phenyl]-3-methylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 443.00048 | 181.9 |
[M+Na]+ | 464.98242 | 191.5 |
[M-H]- | 440.98592 | 193.0 |
[M+NH4]+ | 460.02702 | 196.5 |
[M+K]+ | 480.95636 | 175.4 |
[M+H-H2O]+ | 424.99046 | 188.6 |
[M+HCOO]- | 486.99140 | 196.8 |
[M+CH3COO]- | 501.00705 | 193.8 |
[M+Na-2H]- | 462.96787 | 184.8 |
[M]+ | 441.99265 | 216.4 |
[M]- | 441.99375 | 216.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.