CID 3109774

327043-28-7

Structural Information

Molecular Formula
C7H6BrNO4
SMILES
C1=C(OC(=C1)Br)C(=O)NCC(=O)O
InChI
InChI=1S/C7H6BrNO4/c8-5-2-1-4(13-5)7(12)9-3-6(10)11/h1-2H,3H2,(H,9,12)(H,10,11)
InChIKey
PJNCOIIIVHJMLY-UHFFFAOYSA-N
Compound name
2-[(5-bromofuran-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

246.94801 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95529 147.1
[M+Na]+ 269.93723 146.8
[M+NH4]+ 264.98183 149.6
[M+K]+ 285.91117 151.2
[M-H]- 245.94073 146.2
[M+Na-2H]- 267.92268 146.8
[M]+ 246.94746 145.1
[M]- 246.94856 145.1
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