CID 19353865

2-(3-fluoro-4-nitrophenoxy)acetic acid

Structural Information

Molecular Formula
C8H6FNO5
SMILES
C1=CC(=C(C=C1OCC(=O)O)F)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO5/c9-6-3-5(15-4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChIKey
ITHOGDVBQQBPIZ-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-nitrophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

215.023 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.030276 138.1
[M+Na]+ 238.012218 145.9
[M-H]- 214.015724 139.7
[M+NH4]+ 233.056823 155.1
[M+K]+ 253.986158 140.6
[M+H-H2O]+ 198.020260 136.1
[M+HCOO]- 260.021201 161.5
[M+CH3COO]- 274.036851 177.7
[M+Na-2H]- 235.997666 144.4
[M]+ 215.02245142 137.2
[M]- 215.02354858 137.2
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