CID 2779905

306934-87-2

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1C2=C(C(=CC(=C2)F)C=O)OCO1
InChI
InChI=1S/C9H7FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-3H,4-5H2
InChIKey
NUQNWDKKRFXBPK-UHFFFAOYSA-N
Compound name
6-fluoro-4H-1,3-benzodioxine-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

182.03792 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 131.9
[M+Na]+ 205.02714 141.1
[M-H]- 181.03064 136.7
[M+NH4]+ 200.07174 150.5
[M+K]+ 221.00108 141.3
[M+H-H2O]+ 165.03518 125.4
[M+HCOO]- 227.03612 151.5
[M+CH3COO]- 241.05177 179.9
[M+Na-2H]- 203.01259 141.3
[M]+ 182.03737 132.3
[M]- 182.03847 132.3
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