CID 85829070

5-chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

Structural Information

Molecular Formula
C9H7ClO3
SMILES
C1COC2=C(O1)C=CC(=C2Cl)C=O
InChI
InChI=1S/C9H7ClO3/c10-8-6(5-11)1-2-7-9(8)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey
PQYISUSRKMGKII-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.00838 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01566 135.1
[M+Na]+ 220.99760 150.2
[M+NH4]+ 216.04220 144.6
[M+K]+ 236.97154 143.6
[M-H]- 197.00110 140.4
[M+Na-2H]- 218.98305 141.0
[M]+ 198.00783 139.1
[M]- 198.00893 139.1
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