CID 2826107
N-(4-fluorobenzyl)thiourea
Structural Information
- Molecular Formula
- C8H9FN2S
- SMILES
- C1=CC(=CC=C1CNC(=S)N)F
- InChI
- InChI=1S/C8H9FN2S/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
- InChIKey
- UZJXXZZIIAZHAL-UHFFFAOYSA-N
- Compound name
- (4-fluorophenyl)methylthiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.05432 | 135.1 |
[M+Na]+ | 207.03626 | 142.4 |
[M-H]- | 183.03976 | 137.2 |
[M+NH4]+ | 202.08086 | 154.7 |
[M+K]+ | 223.01020 | 138.5 |
[M+H-H2O]+ | 167.04430 | 128.1 |
[M+HCOO]- | 229.04524 | 154.0 |
[M+CH3COO]- | 243.06089 | 184.3 |
[M+Na-2H]- | 205.02171 | 137.8 |
[M]+ | 184.04649 | 132.1 |
[M]- | 184.04759 | 132.1 |