CID 9543202
Cis-4-[2-(3-hydroxy)-thionaphthenyl]-2-oxo-3-butenoate
Structural Information
- Molecular Formula
- C12H8O4S
- SMILES
- C1=CC=C2C(=C1)C(=C(S2)/C=C\C(=O)C(=O)O)O
- InChI
- InChI=1S/C12H8O4S/c13-8(12(15)16)5-6-10-11(14)7-3-1-2-4-9(7)17-10/h1-6,14H,(H,15,16)/b6-5-
- InChIKey
- CSURGFUIIZATMZ-WAYWQWQTSA-N
- Compound name
- (Z)-4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 249.02161 | 152.1 |
[M+Na]+ | 271.00355 | 161.7 |
[M-H]- | 247.00705 | 155.0 |
[M+NH4]+ | 266.04815 | 171.6 |
[M+K]+ | 286.97749 | 157.2 |
[M+H-H2O]+ | 231.01159 | 147.5 |
[M+HCOO]- | 293.01253 | 168.9 |
[M+CH3COO]- | 307.02818 | 185.3 |
[M+Na-2H]- | 268.98900 | 153.3 |
[M]+ | 248.01378 | 156.0 |
[M]- | 248.01488 | 156.0 |
Literature stripe
No literature data available for this compound.