CID 154577572

2418704-08-0

Structural Information

Molecular Formula
C8H9ClO2
SMILES
CC1=COC(=C1C(=O)CCl)C
InChI
InChI=1S/C8H9ClO2/c1-5-4-11-6(2)8(5)7(10)3-9/h4H,3H2,1-2H3
InChIKey
NZNSTKGJHFVRLS-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,4-dimethylfuran-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.02911 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 132.8
[M+Na]+ 195.01833 143.3
[M-H]- 171.02183 137.7
[M+NH4]+ 190.06293 155.0
[M+K]+ 210.99227 141.4
[M+H-H2O]+ 155.02637 129.1
[M+HCOO]- 217.02731 152.5
[M+CH3COO]- 231.04296 178.5
[M+Na-2H]- 193.00378 137.2
[M]+ 172.02856 137.8
[M]- 172.02966 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.