CID 2798306

2-acetamido-6-fluorobenzoic acid

Structural Information

Molecular Formula
C9H8FNO3
SMILES
CC(=O)NC1=C(C(=CC=C1)F)C(=O)O
InChI
InChI=1S/C9H8FNO3/c1-5(12)11-7-4-2-3-6(10)8(7)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey
IWTHKNXLQDASPO-UHFFFAOYSA-N
Compound name
2-acetamido-6-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

197.04883 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05611 140.3
[M+Na]+ 220.03805 150.1
[M+NH4]+ 215.08265 146.2
[M+K]+ 236.01199 146.2
[M-H]- 196.04155 139.4
[M+Na-2H]- 218.02350 144.5
[M]+ 197.04828 141.0
[M]- 197.04938 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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