CID 91634031
1-(difluoromethyl)-4-ethenylbenzene
Structural Information
- Molecular Formula
- C9H8F2
- SMILES
- C=CC1=CC=C(C=C1)C(F)F
- InChI
- InChI=1S/C9H8F2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,9H,1H2
- InChIKey
- QFHBYLMBDSZSEC-UHFFFAOYSA-N
- Compound name
- 1-(difluoromethyl)-4-ethenylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 155.06668 | 127.1 |
[M+Na]+ | 177.04862 | 135.6 |
[M-H]- | 153.05212 | 128.4 |
[M+NH4]+ | 172.09322 | 148.3 |
[M+K]+ | 193.02256 | 132.8 |
[M+H-H2O]+ | 137.05666 | 120.2 |
[M+HCOO]- | 199.05760 | 148.8 |
[M+CH3COO]- | 213.07325 | 178.0 |
[M+Na-2H]- | 175.03407 | 132.4 |
[M]+ | 154.05885 | 123.8 |
[M]- | 154.05995 | 123.8 |