CID 72208014

1174541-27-5

Structural Information

Molecular Formula
C8H5F2NO4
SMILES
C1=C(C(=CC2=C1OC(O2)(F)F)N)C(=O)O
InChI
InChI=1S/C8H5F2NO4/c9-8(10)14-5-1-3(7(12)13)4(11)2-6(5)15-8/h1-2H,11H2,(H,12,13)
InChIKey
HXZOVDGSMJZADX-UHFFFAOYSA-N
Compound name
6-amino-2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.01866 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02594 138.1
[M+Na]+ 240.00788 148.8
[M-H]- 216.01138 140.7
[M+NH4]+ 235.05248 157.9
[M+K]+ 255.98182 148.4
[M+H-H2O]+ 200.01592 132.5
[M+HCOO]- 262.01686 157.0
[M+CH3COO]- 276.03251 185.1
[M+Na-2H]- 237.99333 144.3
[M]+ 217.01811 137.3
[M]- 217.01921 137.3
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

No patent data available for this compound.