CID 22475350

2-(2,3-difluoro-6-nitrophenyl)acetic acid

Structural Information

Molecular Formula
C8H5F2NO4
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])CC(=O)O)F)F
InChI
InChI=1S/C8H5F2NO4/c9-5-1-2-6(11(14)15)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKey
KZNVCGPCWKYPKD-UHFFFAOYSA-N
Compound name
2-(2,3-difluoro-6-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

217.01866 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02594 137.9
[M+Na]+ 240.00788 148.6
[M+NH4]+ 235.05248 143.3
[M+K]+ 255.98182 147.2
[M-H]- 216.01138 136.7
[M+Na-2H]- 237.99333 141.5
[M]+ 217.01811 138.6
[M]- 217.01921 138.6
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