CID 154814295

2551116-88-0

Structural Information

Molecular Formula
C8H3F2NO6
SMILES
C1=C(C(=CC2=C1OC(O2)(F)F)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H3F2NO6/c9-8(10)16-5-1-3(7(12)13)4(11(14)15)2-6(5)17-8/h1-2H,(H,12,13)
InChIKey
OTWZQNJRNORXMN-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-nitro-1,3-benzodioxole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99284 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00012 140.7
[M+Na]+ 269.98206 150.3
[M-H]- 245.98556 143.6
[M+NH4]+ 265.02666 158.6
[M+K]+ 285.95600 146.6
[M+H-H2O]+ 229.99010 139.7
[M+HCOO]- 291.99104 160.3
[M+CH3COO]- 306.00669 181.9
[M+Na-2H]- 267.96751 149.7
[M]+ 246.99229 140.3
[M]- 246.99339 140.3
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.