CID 2797381

2-[(2,6-difluorophenyl)formamido]acetic acid

Structural Information

Molecular Formula
C9H7F2NO3
SMILES
C1=CC(=C(C(=C1)F)C(=O)NCC(=O)O)F
InChI
InChI=1S/C9H7F2NO3/c10-5-2-1-3-6(11)8(5)9(15)12-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKey
GKFLIRAXEAGJGO-UHFFFAOYSA-N
Compound name
2-[(2,6-difluorobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

215.0394 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04668 140.4
[M+Na]+ 238.02862 148.4
[M-H]- 214.03212 140.5
[M+NH4]+ 233.07322 158.0
[M+K]+ 254.00256 146.1
[M+H-H2O]+ 198.03666 132.8
[M+HCOO]- 260.03760 161.4
[M+CH3COO]- 274.05325 186.9
[M+Na-2H]- 236.01407 143.3
[M]+ 215.03885 137.6
[M]- 215.03995 137.6
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

patents stripe