CID 70728

Dichloromaleic anhydride

Structural Information

Molecular Formula
C4Cl2O3
SMILES
C1(=C(C(=O)OC1=O)Cl)Cl
InChI
InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7
InChIKey
AGULWIQIYWWFBJ-UHFFFAOYSA-N
Compound name
3,4-dichlorofuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

5067
Patents

165.92245 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.92973 123.7
[M+Na]+ 188.91167 136.3
[M-H]- 164.91517 128.4
[M+NH4]+ 183.95627 146.4
[M+K]+ 204.88561 133.6
[M+H-H2O]+ 148.91971 121.4
[M+HCOO]- 210.92065 139.3
[M+CH3COO]- 224.93630 173.2
[M+Na-2H]- 186.89712 129.0
[M]+ 165.92190 128.2
[M]- 165.92300 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe