CID 28710784

1018295-42-5

Structural Information

Molecular Formula
C8H5F2NO3
SMILES
C1=CC(=C(C(=C1)F)NC(=O)C(=O)O)F
InChI
InChI=1S/C8H5F2NO3/c9-4-2-1-3-5(10)6(4)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKey
XKMPHIMGYLKQKV-UHFFFAOYSA-N
Compound name
2-(2,6-difluoroanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

201.02374 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03102 135.9
[M+Na]+ 224.01296 144.4
[M-H]- 200.01646 136.3
[M+NH4]+ 219.05756 154.2
[M+K]+ 239.98690 142.3
[M+H-H2O]+ 184.02100 128.6
[M+HCOO]- 246.02194 157.3
[M+CH3COO]- 260.03759 183.2
[M+Na-2H]- 221.99841 139.4
[M]+ 201.02319 132.7
[M]- 201.02429 132.7
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

patents stripe