CID 24212685

(2,4-dibromo-6-fluoroformylanilino)acetic acid

Structural Information

Molecular Formula
C9H6Br2FNO3
SMILES
C1=C(C=C(C(=C1F)N(CC(=O)O)C=O)Br)Br
InChI
InChI=1S/C9H6Br2FNO3/c10-5-1-6(11)9(7(12)2-5)13(4-14)3-8(15)16/h1-2,4H,3H2,(H,15,16)
InChIKey
AZEUDZMHDDPKPJ-UHFFFAOYSA-N
Compound name
2-(2,4-dibromo-6-fluoro-N-formylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.86984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.87712 150.6
[M+Na]+ 375.85906 160.9
[M-H]- 351.86256 156.3
[M+NH4]+ 370.90366 167.4
[M+K]+ 391.83300 145.3
[M+H-H2O]+ 335.86710 156.2
[M+HCOO]- 397.86804 165.8
[M+CH3COO]- 411.88369 212.9
[M+Na-2H]- 373.84451 154.7
[M]+ 352.86929 184.5
[M]- 352.87039 184.5
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.