CID 2736891

4-amino-2,2-difluoro-1,3-benzodioxole

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
C1=CC(=C2C(=C1)OC(O2)(F)F)N
InChI
InChI=1S/C7H5F2NO2/c8-7(9)11-5-3-1-2-4(10)6(5)12-7/h1-3H,10H2
InChIKey
RXIKYXZKSIARLN-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,3-benzodioxol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

424
Patents

173.02884 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 132.4
[M+Na]+ 196.01806 142.7
[M+NH4]+ 191.06266 141.3
[M+K]+ 211.99200 138.1
[M-H]- 172.02156 134.2
[M+Na-2H]- 194.00351 137.0
[M]+ 173.02829 134.3
[M]- 173.02939 134.3
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