CID 137935555

2149958-44-9

Structural Information

Molecular Formula
C10H9F2NO4
SMILES
COC(C(=O)NC1=CC(=CC(=C1)F)F)C(=O)O
InChI
InChI=1S/C10H9F2NO4/c1-17-8(10(15)16)9(14)13-7-3-5(11)2-6(12)4-7/h2-4,8H,1H3,(H,13,14)(H,15,16)
InChIKey
TYXGHBAICGGKKJ-UHFFFAOYSA-N
Compound name
3-(3,5-difluoroanilino)-2-methoxy-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.04996 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05724 147.9
[M+Na]+ 268.03918 155.0
[M-H]- 244.04268 147.9
[M+NH4]+ 263.08378 164.1
[M+K]+ 284.01312 153.6
[M+H-H2O]+ 228.04722 139.9
[M+HCOO]- 290.04816 167.7
[M+CH3COO]- 304.06381 193.1
[M+Na-2H]- 266.02463 149.1
[M]+ 245.04941 146.3
[M]- 245.05051 146.3
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.