CID 18979661
1,3-difluoro-5-propylbenzene
Structural Information
- Molecular Formula
- C9H10F2
- SMILES
- CCCC1=CC(=CC(=C1)F)F
- InChI
- InChI=1S/C9H10F2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6H,2-3H2,1H3
- InChIKey
- AXTNQJKYTXEYRM-UHFFFAOYSA-N
- Compound name
- 1,3-difluoro-5-propylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.08234 | 127.6 |
[M+Na]+ | 179.06428 | 137.0 |
[M-H]- | 155.06778 | 129.2 |
[M+NH4]+ | 174.10888 | 149.2 |
[M+K]+ | 195.03822 | 134.4 |
[M+H-H2O]+ | 139.07232 | 120.8 |
[M+HCOO]- | 201.07326 | 150.1 |
[M+CH3COO]- | 215.08891 | 179.2 |
[M+Na-2H]- | 177.04973 | 133.5 |
[M]+ | 156.07451 | 126.0 |
[M]- | 156.07561 | 126.0 |
Literature stripe
No literature data available for this compound.