CID 102515226

3,6-dichloro-3a-methyl-dihydro-3h-furo[3,2-b]furan-2,5-dione

Structural Information

Molecular Formula
C7H6Cl2O4
SMILES
CC12C(C(C(=O)O1)Cl)OC(=O)C2Cl
InChI
InChI=1S/C7H6Cl2O4/c1-7-3(9)6(11)12-4(7)2(8)5(10)13-7/h2-4H,1H3
InChIKey
KLEBNLYFOJVEMW-UHFFFAOYSA-N
Compound name
3,6-dichloro-6a-methyl-3a,6-dihydro-3H-furo[3,2-b]furan-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.96431 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.971586 140.5
[M+Na]+ 246.953528 152.8
[M-H]- 222.957034 146.4
[M+NH4]+ 241.998133 164.3
[M+K]+ 262.927468 150.5
[M+H-H2O]+ 206.961570 140.0
[M+HCOO]- 268.962511 152.1
[M+CH3COO]- 282.978161 183.8
[M+Na-2H]- 244.938976 144.6
[M]+ 223.96376142 145.5
[M]- 223.96485858 145.5
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

No patent data available for this compound.