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

1
Patents

217.01866 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.025936 138.1
[M+Na]+ 240.007878 148.8
[M-H]- 216.011384 140.7
[M+NH4]+ 235.052483 157.9
[M+K]+ 255.981818 148.4
[M+H-H2O]+ 200.015920 132.5
[M+HCOO]- 262.016861 157.0
[M+CH3COO]- 276.032511 185.1
[M+Na-2H]- 237.993326 144.3
[M]+ 217.01811142 137.3
[M]- 217.01920858 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

patents stripe