CID 130480977

5-[1-(chloromethyl)cyclopropoxy]-1,3-dioxaindane

Structural Information

Molecular Formula
C11H11ClO3
SMILES
C1CC1(CCl)OC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H11ClO3/c12-6-11(3-4-11)15-8-1-2-9-10(5-8)14-7-13-9/h1-2,5H,3-4,6-7H2
InChIKey
TZJVFIAXEVWHQT-UHFFFAOYSA-N
Compound name
5-[1-(chloromethyl)cyclopropyl]oxy-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.03967 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.046946 143.6
[M+Na]+ 249.028888 154.7
[M-H]- 225.032394 153.1
[M+NH4]+ 244.073493 159.8
[M+K]+ 265.002828 153.8
[M+H-H2O]+ 209.036930 138.8
[M+HCOO]- 271.037871 160.3
[M+CH3COO]- 285.053521 157.6
[M+Na-2H]- 247.014336 152.1
[M]+ 226.03912142 151.4
[M]- 226.04021858 151.4
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.