CID 166000691
2-[6-bromo-4-(methoxycarbonyl)-1h-indol-1-yl]acetic acid
Structural Information
- Molecular Formula
- C12H10BrNO4
- SMILES
- COC(=O)C1=C2C=CN(C2=CC(=C1)Br)CC(=O)O
- InChI
- InChI=1S/C12H10BrNO4/c1-18-12(17)9-4-7(13)5-10-8(9)2-3-14(10)6-11(15)16/h2-5H,6H2,1H3,(H,15,16)
- InChIKey
- LEVRPJYHOZMTEU-UHFFFAOYSA-N
- Compound name
- 2-(6-bromo-4-methoxycarbonylindol-1-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.98658 | 159.1 |
[M+Na]+ | 333.96852 | 172.1 |
[M-H]- | 309.97202 | 164.6 |
[M+NH4]+ | 329.01312 | 178.6 |
[M+K]+ | 349.94246 | 161.3 |
[M+H-H2O]+ | 293.97656 | 158.9 |
[M+HCOO]- | 355.97750 | 178.6 |
[M+CH3COO]- | 369.99315 | 198.1 |
[M+Na-2H]- | 331.95397 | 163.4 |
[M]+ | 310.97875 | 182.0 |
[M]- | 310.97985 | 182.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.