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]+ 156.04553 125.7
[M+Na]+ 178.02747 135.6
[M-H]- 154.03097 130.5
[M+NH4]+ 173.07207 146.8
[M+K]+ 194.00141 135.6
[M+H-H2O]+ 138.03551 120.2
[M+HCOO]- 200.03645 148.1
[M+CH3COO]- 214.05210 176.3
[M+Na-2H]- 176.01292 133.9
[M]+ 155.03770 125.2
[M]- 155.03880 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