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

13
Patents

215.023 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03028 138.1
[M+Na]+ 238.01222 145.9
[M-H]- 214.01572 139.7
[M+NH4]+ 233.05682 155.1
[M+K]+ 253.98616 140.6
[M+H-H2O]+ 198.02026 136.1
[M+HCOO]- 260.02120 161.5
[M+CH3COO]- 274.03685 177.7
[M+Na-2H]- 235.99767 144.4
[M]+ 215.02245 137.2
[M]- 215.02355 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