CID 676492

7-chloro-1,3-dioxaindane-5-carbaldehyde

Structural Information

Molecular Formula
C8H5ClO3
SMILES
C1OC2=C(O1)C(=CC(=C2)C=O)Cl
InChI
InChI=1S/C8H5ClO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-3H,4H2
InChIKey
SFBUWLLIFJURHG-UHFFFAOYSA-N
Compound name
7-chloro-1,3-benzodioxole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

183.99272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00000 132.1
[M+Na]+ 206.98194 143.3
[M-H]- 182.98544 138.5
[M+NH4]+ 202.02654 153.4
[M+K]+ 222.95588 142.1
[M+H-H2O]+ 166.98998 128.5
[M+HCOO]- 228.99092 150.5
[M+CH3COO]- 243.00657 177.5
[M+Na-2H]- 204.96739 140.5
[M]+ 183.99217 137.4
[M]- 183.99327 137.4
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

patents stripe