CID 44123470
2,4-dichlorotoluene dihydrodiol
Structural Information
- Molecular Formula
- C7H8Cl2O2
- SMILES
- CC1=C(C=C([C@H]([C@H]1O)O)Cl)Cl
- InChI
- InChI=1S/C7H8Cl2O2/c1-3-4(8)2-5(9)7(11)6(3)10/h2,6-7,10-11H,1H3/t6-,7+/m0/s1
- InChIKey
- VDFGOHREQMFVSY-NKWVEPMBSA-N
- Compound name
- (1S,2S)-4,6-dichloro-3-methylcyclohexa-3,5-diene-1,2-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 194.99741 | 132.9 |
[M+Na]+ | 216.97935 | 147.1 |
[M+NH4]+ | 212.02395 | 141.8 |
[M+K]+ | 232.95329 | 140.7 |
[M-H]- | 192.98285 | 134.2 |
[M+Na-2H]- | 214.96480 | 138.6 |
[M]+ | 193.98958 | 135.9 |
[M]- | 193.99068 | 135.9 |
Literature stripe
Patent stripe
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