CID 2759851

5-methylfuran-2-carbonyl chloride

Structural Information

Molecular Formula
C6H5ClO2
SMILES
CC1=CC=C(O1)C(=O)Cl
InChI
InChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKey
ZURUVZFDEVKNCE-UHFFFAOYSA-N
Compound name
5-methylfuran-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

143.9978 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00508 123.4
[M+Na]+ 166.98702 136.3
[M+NH4]+ 162.03162 132.4
[M+K]+ 182.96096 132.6
[M-H]- 142.99052 125.9
[M+Na-2H]- 164.97247 129.1
[M]+ 143.99725 126.2
[M]- 143.99835 126.2
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

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