CID 16228443

2-[(3,5-difluorophenyl)formamido]acetic acid

Structural Information

Molecular Formula
C9H7F2NO3
SMILES
C1=C(C=C(C=C1F)F)C(=O)NCC(=O)O
InChI
InChI=1S/C9H7F2NO3/c10-6-1-5(2-7(11)3-6)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKey
CRKGNCMDWYCYOJ-UHFFFAOYSA-N
Compound name
2-[(3,5-difluorobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0394 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.