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]+ 224.97159 140.5
[M+Na]+ 246.95353 152.8
[M-H]- 222.95703 146.4
[M+NH4]+ 241.99813 164.3
[M+K]+ 262.92747 150.5
[M+H-H2O]+ 206.96157 140.0
[M+HCOO]- 268.96251 152.1
[M+CH3COO]- 282.97816 183.8
[M+Na-2H]- 244.93898 144.6
[M]+ 223.96376 145.5
[M]- 223.96486 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.