CID 105517870
1780994-55-9
Structural Information
- Molecular Formula
- C13H16FNO4
- SMILES
- CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)C(=O)O)F
- InChI
- InChI=1S/C13H16FNO4/c1-13(2,3)19-12(18)15-7-9-6-8(11(16)17)4-5-10(9)14/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
- InChIKey
- DLJGSCFWYUWGNJ-UHFFFAOYSA-N
- Compound name
- 4-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 270.11360 | 158.9 |
[M+Na]+ | 292.09554 | 165.6 |
[M-H]- | 268.09904 | 160.2 |
[M+NH4]+ | 287.14014 | 174.7 |
[M+K]+ | 308.06948 | 164.0 |
[M+H-H2O]+ | 252.10358 | 152.2 |
[M+HCOO]- | 314.10452 | 178.4 |
[M+CH3COO]- | 328.12017 | 197.4 |
[M+Na-2H]- | 290.08099 | 161.4 |
[M]+ | 269.10577 | 159.6 |
[M]- | 269.10687 | 159.6 |
Literature stripe
Patent stripe
No patent data available for this compound.