CID 2759850

2-methylfuran-3-carbonyl chloride

Structural Information

Molecular Formula
C6H5ClO2
SMILES
CC1=C(C=CO1)C(=O)Cl
InChI
InChI=1S/C6H5ClO2/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3
InChIKey
AFFZVBHMMXZNKE-UHFFFAOYSA-N
Compound name
2-methylfuran-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

143.9978 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.005076 124.0
[M+Na]+ 166.987018 134.4
[M-H]- 142.990524 128.9
[M+NH4]+ 162.031623 147.0
[M+K]+ 182.960958 133.1
[M+H-H2O]+ 126.995060 120.3
[M+HCOO]- 188.996001 144.3
[M+CH3COO]- 203.011651 171.3
[M+Na-2H]- 164.972466 130.1
[M]+ 143.99725142 127.8
[M]- 143.99834858 127.8
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