CID 12519115

72406-97-4

Structural Information

Molecular Formula
C8H10Cl2O2
SMILES
C1CCC2C(C1)C(C(=O)O2)(Cl)Cl
InChI
InChI=1S/C8H10Cl2O2/c9-8(10)5-3-1-2-4-6(5)12-7(8)11/h5-6H,1-4H2
InChIKey
HZOSGSRPCDQQKW-UHFFFAOYSA-N
Compound name
3,3-dichloro-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.00578 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.013056 140.7
[M+Na]+ 230.994998 150.0
[M-H]- 206.998504 144.8
[M+NH4]+ 226.039603 164.3
[M+K]+ 246.968938 146.3
[M+H-H2O]+ 191.003040 138.1
[M+HCOO]- 253.003981 150.3
[M+CH3COO]- 267.019631 180.8
[M+Na-2H]- 228.980446 145.4
[M]+ 208.00523142 140.5
[M]- 208.00632858 140.5
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