CID 470322

4-acetamido-5-fluorosalicylic acid methyl ester

Structural Information

Molecular Formula
C10H10FNO4
SMILES
CC(=O)NC1=C(C=C(C(=C1)O)C(=O)OC)F
InChI
InChI=1S/C10H10FNO4/c1-5(13)12-8-4-9(14)6(3-7(8)11)10(15)16-2/h3-4,14H,1-2H3,(H,12,13)
InChIKey
XRWFNOPBWQRVEY-UHFFFAOYSA-N
Compound name
methyl 4-acetamido-5-fluoro-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.05939 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06667 144.8
[M+Na]+ 250.04861 153.3
[M-H]- 226.05211 146.7
[M+NH4]+ 245.09321 162.4
[M+K]+ 266.02255 151.8
[M+H-H2O]+ 210.05665 138.1
[M+HCOO]- 272.05759 166.8
[M+CH3COO]- 286.07324 190.0
[M+Na-2H]- 248.03406 147.2
[M]+ 227.05884 145.4
[M]- 227.05994 145.4
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