CID 53621919

2-amino-4-fluoro-5-(4-fluorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H9F2NO3
SMILES
C1=CC(=CC=C1OC2=C(C=C(C(=C2)C(=O)O)N)F)F
InChI
InChI=1S/C13H9F2NO3/c14-7-1-3-8(4-2-7)19-12-5-9(13(17)18)11(16)6-10(12)15/h1-6H,16H2,(H,17,18)
InChIKey
LIEXDQSXGOLAKP-UHFFFAOYSA-N
Compound name
2-amino-4-fluoro-5-(4-fluorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05505 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06233 154.2
[M+Na]+ 288.04427 163.6
[M-H]- 264.04777 157.5
[M+NH4]+ 283.08887 169.7
[M+K]+ 304.01821 159.5
[M+H-H2O]+ 248.05231 145.4
[M+HCOO]- 310.05325 175.5
[M+CH3COO]- 324.06890 197.3
[M+Na-2H]- 286.02972 156.3
[M]+ 265.05450 151.7
[M]- 265.05560 151.7
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.