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]+ 216.046676 140.4
[M+Na]+ 238.028618 148.4
[M-H]- 214.032124 140.5
[M+NH4]+ 233.073223 158.0
[M+K]+ 254.002558 146.1
[M+H-H2O]+ 198.036660 132.8
[M+HCOO]- 260.037601 161.4
[M+CH3COO]- 274.053251 186.9
[M+Na-2H]- 236.014066 143.3
[M]+ 215.03885142 137.6
[M]- 215.03994858 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.