CID 161268
19077-78-2
Structural Information
- Molecular Formula
- C11H10ClNO2
- SMILES
- COC(=O)CC1=CNC2=C1C(=CC=C2)Cl
- InChI
- InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3
- InChIKey
- SYPGJEURLIGNPE-UHFFFAOYSA-N
- Compound name
- methyl 2-(4-chloro-1H-indol-3-yl)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.04729 | 145.2 |
[M+Na]+ | 246.02923 | 156.4 |
[M-H]- | 222.03273 | 147.8 |
[M+NH4]+ | 241.07383 | 165.7 |
[M+K]+ | 262.00317 | 151.2 |
[M+H-H2O]+ | 206.03727 | 139.9 |
[M+HCOO]- | 268.03821 | 163.4 |
[M+CH3COO]- | 282.05386 | 184.0 |
[M+Na-2H]- | 244.01468 | 150.4 |
[M]+ | 223.03946 | 149.7 |
[M]- | 223.04056 | 149.7 |