CID 719220

2-{[2-(difluoromethoxy)phenyl]formamido}acetic acid

Structural Information

Molecular Formula
C10H9F2NO4
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)O)OC(F)F
InChI
InChI=1S/C10H9F2NO4/c11-10(12)17-7-4-2-1-3-6(7)9(16)13-5-8(14)15/h1-4,10H,5H2,(H,13,16)(H,14,15)
InChIKey
IXIDDWPLZUIVEX-UHFFFAOYSA-N
Compound name
2-[[2-(difluoromethoxy)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.04996 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05724 148.4
[M+Na]+ 268.03918 154.6
[M-H]- 244.04268 148.0
[M+NH4]+ 263.08378 164.3
[M+K]+ 284.01312 153.1
[M+H-H2O]+ 228.04722 140.2
[M+HCOO]- 290.04816 168.3
[M+CH3COO]- 304.06381 191.8
[M+Na-2H]- 266.02463 150.3
[M]+ 245.04941 146.4
[M]- 245.05051 146.4
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

No patent data available for this compound.