CID 75060551

Ns00133612

Structural Information

Molecular Formula
C7H9ClO3
SMILES
CC1C=CC(OO1)CC(=O)Cl
InChI
InChI=1S/C7H9ClO3/c1-5-2-3-6(11-10-5)4-7(8)9/h2-3,5-6H,4H2,1H3
InChIKey
UKTNQDJUYJSAEU-UHFFFAOYSA-N
Compound name
2-(6-methyl-3,6-dihydro-1,2-dioxin-3-yl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02402 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.031296 132.9
[M+Na]+ 199.013238 140.9
[M-H]- 175.016744 137.7
[M+NH4]+ 194.057843 151.3
[M+K]+ 214.987178 141.2
[M+H-H2O]+ 159.021280 128.5
[M+HCOO]- 221.022221 148.7
[M+CH3COO]- 235.037871 177.2
[M+Na-2H]- 196.998686 139.8
[M]+ 176.02347142 135.8
[M]- 176.02456858 135.8
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.