CID 2724013

83878-01-7

Structural Information

Molecular Formula
C6H8Cl2O3
SMILES
C1CC(=O)C(C(C1)(Cl)Cl)(O)O
InChI
InChI=1S/C6H8Cl2O3/c7-5(8)3-1-2-4(9)6(5,10)11/h10-11H,1-3H2
InChIKey
CMFHEHLGXLKUKA-UHFFFAOYSA-N
Compound name
3,3-dichloro-2,2-dihydroxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.98505 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99233 130.8
[M+Na]+ 220.97427 140.6
[M-H]- 196.97777 132.0
[M+NH4]+ 216.01887 154.2
[M+K]+ 236.94821 136.2
[M+H-H2O]+ 180.98231 130.5
[M+HCOO]- 242.98325 140.7
[M+CH3COO]- 256.99890 173.9
[M+Na-2H]- 218.95972 137.2
[M]+ 197.98450 129.7
[M]- 197.98560 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe