CID 165913812
En300-26861248
Structural Information
- Molecular Formula
- C7H7ClO3
- SMILES
- C1CC(=O)[C@H]2[C@@H]1[C@@]2(C(=O)O)Cl
- InChI
- InChI=1S/C7H7ClO3/c8-7(6(10)11)3-1-2-4(9)5(3)7/h3,5H,1-2H2,(H,10,11)/t3-,5-,7-/m1/s1
- InChIKey
- VLSAADBJAIZLKV-HGWBJXFBSA-N
- Compound name
- (1R,5R,6R)-6-chloro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 175.01566 | 131.3 |
[M+Na]+ | 196.99760 | 143.2 |
[M-H]- | 173.00110 | 135.8 |
[M+NH4]+ | 192.04220 | 151.6 |
[M+K]+ | 212.97154 | 138.9 |
[M+H-H2O]+ | 157.00564 | 129.1 |
[M+HCOO]- | 219.00658 | 147.6 |
[M+CH3COO]- | 233.02223 | 178.0 |
[M+Na-2H]- | 194.98305 | 136.2 |
[M]+ | 174.00783 | 135.5 |
[M]- | 174.00893 | 135.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.