CID 75975

2-furanacetyl chloride

Structural Information

Molecular Formula
C6H5ClO2
SMILES
C1=COC(=C1)CC(=O)Cl
InChI
InChI=1S/C6H5ClO2/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2
InChIKey
GUSVHTGHWCRLNP-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

143.9978 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00508 124.9
[M+Na]+ 166.98702 134.3
[M-H]- 142.99052 129.3
[M+NH4]+ 162.03162 147.5
[M+K]+ 182.96096 133.0
[M+H-H2O]+ 126.99506 120.9
[M+HCOO]- 188.99600 145.2
[M+CH3COO]- 203.01165 170.2
[M+Na-2H]- 164.97247 131.6
[M]+ 143.99725 128.3
[M]- 143.99835 128.3
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