CID 78218

3,6-dichlorophthalic anhydride

Structural Information

Molecular Formula
C8H2Cl2O3
SMILES
C1=CC(=C2C(=C1Cl)C(=O)OC2=O)Cl
InChI
InChI=1S/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
InChIKey
HEGLMCPFDADCAQ-UHFFFAOYSA-N
Compound name
4,7-dichloro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

868
Patents

215.9381 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94538 137.2
[M+Na]+ 238.92732 150.7
[M-H]- 214.93082 143.0
[M+NH4]+ 233.97192 159.4
[M+K]+ 254.90126 146.6
[M+H-H2O]+ 198.93536 134.6
[M+HCOO]- 260.93630 151.6
[M+CH3COO]- 274.95195 183.7
[M+Na-2H]- 236.91277 142.6
[M]+ 215.93755 142.9
[M]- 215.93865 142.9
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

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