CID 6373453

Nsc672202

Structural Information

Molecular Formula
C10H14Cl2O4
SMILES
CCOC(=O)C(C)(/C(=C/Cl)/Cl)C(=O)OCC
InChI
InChI=1S/C10H14Cl2O4/c1-4-15-8(13)10(3,7(12)6-11)9(14)16-5-2/h6H,4-5H2,1-3H3/b7-6-
InChIKey
OMZIJNQLYDINET-SREVYHEPSA-N
Compound name
diethyl 2-[(Z)-1,2-dichloroethenyl]-2-methylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.02692 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03420 152.8
[M+Na]+ 291.01614 160.5
[M-H]- 267.01964 152.9
[M+NH4]+ 286.06074 170.9
[M+K]+ 306.99008 157.3
[M+H-H2O]+ 251.02418 150.4
[M+HCOO]- 313.02512 163.4
[M+CH3COO]- 327.04077 193.6
[M+Na-2H]- 289.00159 154.5
[M]+ 268.02637 159.7
[M]- 268.02747 159.7
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

No patent data available for this compound.