CID 46739201

2,2-difluoro-2-(4-nitrophenyl)acetic acid

Structural Information

Molecular Formula
C8H5F2NO4
SMILES
C1=CC(=CC=C1C(C(=O)O)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C8H5F2NO4/c9-8(10,7(12)13)5-1-3-6(4-2-5)11(14)15/h1-4H,(H,12,13)
InChIKey
RZESONLWCQFNHX-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(4-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 136.4
[M+Na]+ 240.00788 146.1
[M+NH4]+ 235.05248 141.6
[M+K]+ 255.98182 145.6
[M-H]- 216.01138 134.5
[M+Na-2H]- 237.99333 140.5
[M]+ 217.01811 136.7
[M]- 217.01921 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe