CID 44717693
3-(methylthio)-5-(trifluoromethyl)benzeneboronic acid
Structural Information
- Molecular Formula
- C8H8BF3O2S
- SMILES
- B(C1=CC(=CC(=C1)SC)C(F)(F)F)(O)O
- InChI
- InChI=1S/C8H8BF3O2S/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3
- InChIKey
- XIGZIOYWOLFBMQ-UHFFFAOYSA-N
- Compound name
- [3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 237.03630 | 142.4 |
[M+Na]+ | 259.01824 | 150.9 |
[M-H]- | 235.02174 | 139.9 |
[M+NH4]+ | 254.06284 | 159.7 |
[M+K]+ | 274.99218 | 146.9 |
[M+H-H2O]+ | 219.02628 | 135.0 |
[M+HCOO]- | 281.02722 | 153.4 |
[M+CH3COO]- | 295.04287 | 184.5 |
[M+Na-2H]- | 257.00369 | 143.3 |
[M]+ | 236.02847 | 139.7 |
[M]- | 236.02957 | 139.7 |
Literature stripe
No literature data available for this compound.