CID 17980564

492444-04-9

Structural Information

Molecular Formula
C7H6FNO2
SMILES
C1OC2=C(O1)C(=C(C=C2)F)N
InChI
InChI=1S/C7H6FNO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3,9H2
InChIKey
HXEMSUWXUXWSHQ-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzodioxol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

155.03825 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.045526 125.7
[M+Na]+ 178.027468 135.6
[M-H]- 154.030974 130.5
[M+NH4]+ 173.072073 146.8
[M+K]+ 194.001408 135.6
[M+H-H2O]+ 138.035510 120.2
[M+HCOO]- 200.036451 148.1
[M+CH3COO]- 214.052101 176.3
[M+Na-2H]- 176.012916 133.9
[M]+ 155.03770142 125.2
[M]- 155.03879858 125.2
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