CID 3044355
57105-65-4
Structural Information
- Molecular Formula
- C10H9ClN2O
- SMILES
- C#CCNC(=O)NC1=CC=C(C=C1)Cl
- InChI
- InChI=1S/C10H9ClN2O/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h1,3-6H,7H2,(H2,12,13,14)
- InChIKey
- MQTMRZVIJKJISA-UHFFFAOYSA-N
- Compound name
- 1-(4-chlorophenyl)-3-prop-2-ynylurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.04762 | 148.0 |
[M+Na]+ | 231.02956 | 157.8 |
[M-H]- | 207.03306 | 150.0 |
[M+NH4]+ | 226.07416 | 165.0 |
[M+K]+ | 247.00350 | 152.2 |
[M+H-H2O]+ | 191.03760 | 136.7 |
[M+HCOO]- | 253.03854 | 163.6 |
[M+CH3COO]- | 267.05419 | 195.4 |
[M+Na-2H]- | 229.01501 | 152.3 |
[M]+ | 208.03979 | 142.9 |
[M]- | 208.04089 | 142.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.