CID 76743
3254-79-3
Structural Information
- Molecular Formula
- C15H13Cl2NO2
- SMILES
- CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)OC)Cl
- InChI
- InChI=1S/C15H13Cl2NO2/c1-9-7-8-11(16)14(13(9)17)18-12-6-4-3-5-10(12)15(19)20-2/h3-8,18H,1-2H3
- InChIKey
- IZZWHVDZJOINFQ-UHFFFAOYSA-N
- Compound name
- methyl 2-(2,6-dichloro-3-methylanilino)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 310.03963 | 166.1 |
[M+Na]+ | 332.02157 | 176.3 |
[M-H]- | 308.02507 | 172.8 |
[M+NH4]+ | 327.06617 | 182.6 |
[M+K]+ | 347.99551 | 170.2 |
[M+H-H2O]+ | 292.02961 | 160.4 |
[M+HCOO]- | 354.03055 | 181.2 |
[M+CH3COO]- | 368.04620 | 206.0 |
[M+Na-2H]- | 330.00702 | 168.7 |
[M]+ | 309.03180 | 171.5 |
[M]- | 309.03290 | 171.5 |