CID 2940646

2-[4-(5-bromofuran-2-amido)phenyl]acetic acid

Structural Information

Molecular Formula
C13H10BrNO4
SMILES
C1=CC(=CC=C1CC(=O)O)NC(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C13H10BrNO4/c14-11-6-5-10(19-11)13(18)15-9-3-1-8(2-4-9)7-12(16)17/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKey
GQNZKOPOHUCJOB-UHFFFAOYSA-N
Compound name
2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.9793 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.986576 165.9
[M+Na]+ 345.968518 175.6
[M-H]- 321.972024 174.6
[M+NH4]+ 341.013123 182.9
[M+K]+ 361.942458 165.6
[M+H-H2O]+ 305.976560 164.6
[M+HCOO]- 367.977501 186.4
[M+CH3COO]- 381.993151 200.7
[M+Na-2H]- 343.953966 169.6
[M]+ 322.97875142 185.4
[M]- 322.97984858 185.4
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.