CID 3014036
4-bromopyrene
Structural Information
- Molecular Formula
- C16H9Br
- SMILES
- C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)Br
- InChI
- InChI=1S/C16H9Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
- InChIKey
- QMHTZTOPYZKQLC-UHFFFAOYSA-N
- Compound name
- 4-bromopyrene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.99605 | 156.6 |
[M+Na]+ | 302.97799 | 169.8 |
[M-H]- | 278.98149 | 164.7 |
[M+NH4]+ | 298.02259 | 179.8 |
[M+K]+ | 318.95193 | 157.5 |
[M+H-H2O]+ | 262.98603 | 156.2 |
[M+HCOO]- | 324.98697 | 175.7 |
[M+CH3COO]- | 339.00262 | 171.5 |
[M+Na-2H]- | 300.96344 | 168.7 |
[M]+ | 279.98822 | 177.8 |
[M]- | 279.98932 | 177.8 |