CID 84038494

1550887-04-1

Structural Information

Molecular Formula
C8H5FO3
SMILES
C1OC2=C(O1)C(=C(C=C2)F)C=O
InChI
InChI=1S/C8H5FO3/c9-6-1-2-7-8(5(6)3-10)12-4-11-7/h1-3H,4H2
InChIKey
PPNDECOBTADBFJ-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzodioxole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

168.02228 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.029556 127.0
[M+Na]+ 191.011498 137.5
[M-H]- 167.015004 132.2
[M+NH4]+ 186.056103 148.1
[M+K]+ 206.985438 137.8
[M+H-H2O]+ 151.019540 121.8
[M+HCOO]- 213.020481 149.1
[M+CH3COO]- 227.036131 176.4
[M+Na-2H]- 188.996946 135.4
[M]+ 168.02173142 129.2
[M]- 168.02282858 129.2
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