CID 165942324
Methyl 3-(2-chloro-1,3-benzothiazol-6-yl)propanoate
Structural Information
- Molecular Formula
- C11H10ClNO2S
- SMILES
- COC(=O)CCC1=CC2=C(C=C1)N=C(S2)Cl
- InChI
- InChI=1S/C11H10ClNO2S/c1-15-10(14)5-3-7-2-4-8-9(6-7)16-11(12)13-8/h2,4,6H,3,5H2,1H3
- InChIKey
- FLIHFKNANQAWMV-UHFFFAOYSA-N
- Compound name
- methyl 3-(2-chloro-1,3-benzothiazol-6-yl)propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.01936 | 152.1 |
[M+Na]+ | 278.00130 | 163.9 |
[M-H]- | 254.00480 | 156.5 |
[M+NH4]+ | 273.04590 | 172.8 |
[M+K]+ | 293.97524 | 159.3 |
[M+H-H2O]+ | 238.00934 | 147.1 |
[M+HCOO]- | 300.01028 | 166.7 |
[M+CH3COO]- | 314.02593 | 190.2 |
[M+Na-2H]- | 275.98675 | 154.8 |
[M]+ | 255.01153 | 160.8 |
[M]- | 255.01263 | 160.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.