CID 71668970

1437312-03-2

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 140.5
[M+Na]+ 235.01324 149.9
[M-H]- 211.01674 146.3
[M+NH4]+ 230.05784 158.7
[M+K]+ 250.98718 148.5
[M+H-H2O]+ 195.02128 135.5
[M+HCOO]- 257.02222 156.1
[M+CH3COO]- 271.03787 184.0
[M+Na-2H]- 232.99869 149.3
[M]+ 212.02347 144.4
[M]- 212.02457 144.4
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.