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

45
Patents

182.03792 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.045196 131.9
[M+Na]+ 205.027138 141.1
[M-H]- 181.030644 136.7
[M+NH4]+ 200.071743 150.5
[M+K]+ 221.001078 141.3
[M+H-H2O]+ 165.035180 125.4
[M+HCOO]- 227.036121 151.5
[M+CH3COO]- 241.051771 179.9
[M+Na-2H]- 203.012586 141.3
[M]+ 182.03737142 132.3
[M]- 182.03846858 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