CID 22096539

5-fluorobenzo[d][1,3]dioxole

Structural Information

Molecular Formula
C7H5FO2
SMILES
C1OC2=C(O1)C=C(C=C2)F
InChI
InChI=1S/C7H5FO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
InChIKey
GCPUMFAGCOLKAK-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

140.02736 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03464 120.4
[M+Na]+ 163.01658 130.3
[M-H]- 139.02008 125.4
[M+NH4]+ 158.06118 142.5
[M+K]+ 178.99052 130.9
[M+H-H2O]+ 123.02462 115.3
[M+HCOO]- 185.02556 142.5
[M+CH3COO]- 199.04121 136.0
[M+Na-2H]- 161.00203 130.1
[M]+ 140.02681 121.2
[M]- 140.02791 121.2
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