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

42
Patents

168.02228 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02956 127.0
[M+Na]+ 191.01150 137.5
[M-H]- 167.01500 132.2
[M+NH4]+ 186.05610 148.1
[M+K]+ 206.98544 137.8
[M+H-H2O]+ 151.01954 121.8
[M+HCOO]- 213.02048 149.1
[M+CH3COO]- 227.03613 176.4
[M+Na-2H]- 188.99695 135.4
[M]+ 168.02173 129.2
[M]- 168.02283 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