CID 519536
182565-27-1
Structural Information
- Molecular Formula
- C9H8FNS
- SMILES
- CC(C1=CC=C(C=C1)F)N=C=S
- InChI
- InChI=1S/C9H8FNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3
- InChIKey
- JXMBAXGHCKMDES-UHFFFAOYSA-N
- Compound name
- 1-fluoro-4-(1-isothiocyanatoethyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.04343 | 133.9 |
[M+Na]+ | 204.02537 | 142.4 |
[M-H]- | 180.02887 | 138.1 |
[M+NH4]+ | 199.06997 | 155.0 |
[M+K]+ | 219.99931 | 139.2 |
[M+H-H2O]+ | 164.03341 | 127.0 |
[M+HCOO]- | 226.03435 | 153.9 |
[M+CH3COO]- | 240.05000 | 184.9 |
[M+Na-2H]- | 202.01082 | 137.1 |
[M]+ | 181.03560 | 134.3 |
[M]- | 181.03670 | 134.3 |
Literature stripe
No literature data available for this compound.