CID 71668970

8-(chloromethyl)-4h-1,3-benzodioxine-6-carbaldehyde

Structural Information

Molecular Formula
C10H9ClO3
SMILES
C1C2=C(C(=CC(=C2)C=O)CCl)OCO1
InChI
InChI=1S/C10H9ClO3/c11-3-8-1-7(4-12)2-9-5-13-6-14-10(8)9/h1-2,4H,3,5-6H2
InChIKey
KKYGPQSGLFFAGI-UHFFFAOYSA-N
Compound name
8-(chloromethyl)-4H-1,3-benzodioxine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02402 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03130 139.7
[M+Na]+ 235.01324 154.7
[M+NH4]+ 230.05784 149.1
[M+K]+ 250.98718 147.8
[M-H]- 211.01674 145.0
[M+Na-2H]- 232.99869 145.4
[M]+ 212.02347 143.7
[M]- 212.02457 143.7
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.