CID 2780178

6-chloroacetyl-1,4-benzodioxane

Structural Information

Molecular Formula
C10H9ClO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)CCl
InChI
InChI=1S/C10H9ClO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2
InChIKey
ILEYSCVQRULQKW-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

212.02402 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03130 140.7
[M+Na]+ 235.01324 148.9
[M-H]- 211.01674 146.2
[M+NH4]+ 230.05784 158.6
[M+K]+ 250.98718 148.0
[M+H-H2O]+ 195.02128 135.6
[M+HCOO]- 257.02222 155.4
[M+CH3COO]- 271.03787 183.7
[M+Na-2H]- 232.99869 149.0
[M]+ 212.02347 143.6
[M]- 212.02457 143.6
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

patents stripe