CID 11480968

2,5-furandicarbonyl dichloride

Structural Information

Molecular Formula
C6H2Cl2O3
SMILES
C1=C(OC(=C1)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C6H2Cl2O3/c7-5(9)3-1-2-4(11-3)6(8)10/h1-2H
InChIKey
PDSULNVJASBMLP-UHFFFAOYSA-N
Compound name
furan-2,5-dicarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

500
Patents

191.9381 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94538 132.3
[M+Na]+ 214.92732 142.9
[M-H]- 190.93082 136.7
[M+NH4]+ 209.97192 153.5
[M+K]+ 230.90126 140.3
[M+H-H2O]+ 174.93536 129.3
[M+HCOO]- 236.93630 146.9
[M+CH3COO]- 250.95195 178.2
[M+Na-2H]- 212.91277 136.5
[M]+ 191.93755 137.3
[M]- 191.93865 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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